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(-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile

IUPAC: (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile

CAS 274901-16-5
C17H25N3O2

(-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile (CAS 274901-16-5) is a chemical compound with molecular formula C17H25N3O2 and molecular weight 303.4 g/mol .

What is (-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile?

Molecular Formula
C17H25N3O2
Molecular Weight
303.40 g/mol

Structure Identifiers

SMILES
C1C[C@H](N(C1)C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C#N
InChI
InChI=1S/C17H25N3O2/c18-9-14-2-1-3-20(14)15(21)10-19-16-5-12-4-13(6-16)8-17(22,7-12)11-16/h12-14,19,22H,1-8,10-11H2/t12-,13+,14-,16?,17?/m0/s1
InChIKey
SYOKIDBDQMKNDQ-HHUWHTLVSA-N

Properties

Computed

Calculated molecular descriptors used in drug design and computational chemistry.

Exact Mass
303.1947 Da
XLogP
0.90
TPSA
76.4 Ų
H-Bond Donors
2
H-Bond Acceptors
4
Complexity
523
Formal Charge
0

Safety information

Hazard Statements

  • H413 May cause long lasting harmful effects to aquatic life

Precautionary Statements

  • P273 Avoid release to the environment
  • P501 Dispose of contents/container to an approved waste disposal plant

Synonyms (33)

  • FD6071
  • BS-1016
  • 630-410-0
  • EBC-11319
  • HY-14291R
  • Q27462467
  • BDBM123776
  • Z1741976872
  • BDBM50129889
  • CHEMBL319819
  • MFCD08275142
  • AKOS015924571
  • CHEMBL3084811
  • Vildagliptin?
  • RefChem:390888
  • SCHEMBL10031674
  • SCHEMBL16153676
  • SCHEMBL16155482
  • SCHEMBL29369942
  • LAF237;NVP-LAF 237
  • Vildagliptin (Standard)
  • (2S)-1-((3-hydroxyadamantan-1-yl)glycyl)pyrrolidine-2-carbonitrile
  • 1-[2-(3-Hydroxy-adamantan-1-ylamino)-acetyl]-pyrrolidine-2-carbonitrile
  • (S)-1-[2-[(3-Hydroxyadamant-1-yl)amino]acetyl]pyrrolidine-2-carbonitrile
  • (S)-1-(((1r,3R,5R,7S)-3-hydroxyadamantan-1-yl)glycyl)pyrrolidine-2-carbonitrile
  • (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile
  • (S)-1-[2-((5S,7S)-3-hydroxy-adamantan-1-ylamino)-acetyl]-pyrrolidine-2-carbonitrile
  • (S)-1-(2-(((1r,3R,5R,7S)-3-hydroxyadamantan-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile
  • (2S)-1-(2-{[(1R,3S,5R,7S)-3-HYDROXYADAMANTAN-1-YL]AMINO}ACETYL)PYRROLIDINE-2-CARBONITRILE
  • (-)-(2s)-1-(((3-hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile
  • (-)-(2S)-1-[[(3-Hydroxytricyclo[3.3.1.1[3,7]]dec-1-yl)amino]acetyl]pyrrolidine-2-carbonitrile
  • (2S)-1-(2-{[(1r,3s,5R,7S)-3-hydroxyadamantan-1- yl]amino}acetyl)pyrrolidine-2-carbonitrile (11)
  • (2s)-1-{n-[(1r,3s,5r,7s)-3-Hydroxytricyclo[3.3.1.1~3,7~]dec-1-Yl]glycyl}pyrrolidine-2-Carbonitrile

Frequently asked questions

What is the CAS number of (-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile?

The CAS Registry Number for (-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile is 274901-16-5.

What is the IUPAC name of (-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile?

The IUPAC name of (-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile is (2S)-1-[2-[[(5S,7R)-3-hydroxy-1-adamantyl]amino]acetyl]pyrrolidine-2-carbonitrile.

What is the molecular formula of (-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile?

(-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile has the molecular formula C17H25N3O2 and a molecular weight of 303.4 g/mol.

What is the SMILES notation for (-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile?

The SMILES notation for (-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile is C1C[C@H](N(C1)C(=O)CNC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)C#N.

What are other names for (-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile?

(-)-(2S)-1-(((3-Hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile is also known as (-)-(2s)-1-(((3-hydroxytricyclo(3.3.1.1(3,7))dec-1-yl)amino)acetyl)pyrrolidine-2-carbonitrile, (-)-(2S)-1-[[(3-Hydroxytricyclo[3.3.1.1[3,7]]dec-1-yl)amino]acetyl]pyrrolidine-2-carbonitrile, (2S)-1-((3-hydroxyadamantan-1-yl)glycyl)pyrrolidine-2-carbonitrile, (2S)-1-(2-{[(1r,3s,5R,7S)-3-hydroxyadamantan-1- yl]amino}acetyl)pyrrolidine-2-carbonitrile (11), (2S)-1-(2-{[(1R,3S,5R,7S)-3-HYDROXYADAMANTAN-1-YL]AMINO}ACETYL)PYRROLIDINE-2-CARBONITRILE.

Data sourced from PubChem CID 11077541. Last updated .

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