(2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride

C20H20ClF2N3O — CID 10135083

IUPAC(2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride
SMILESCl.N#C[C@H]1CCCN1C(=O)[C@@H](N)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O.ClH/c21-15-7-3-13(4-8-15)18(14-5-9-16(22)10-6-14)19(24)20(26)25-11-1-2-17(25)12-23;/h3-10,17-19H,1-2,11,24H2;1H/t17-,19+;/m1./s1
InChIKeyKMQHAIKDGBBACH-ZFNKBKEPSA-N
MW391.85 g/mol
LogP3.36
Rot. Bonds4

About (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride

(2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride (PubChem CID 10135083) has the molecular formula C20H20ClF2N3O and a molecular weight of 391.85 g/mol. Its IUPAC name is (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride
PubChem CID10135083
Molecular FormulaC20H20ClF2N3O
Molecular Weight391.85 g/mol
Exact Mass391.13
IUPAC Name(2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride
SMILESCl.N#C[C@H]1CCCN1C(=O)[C@@H](N)C(c1ccc(F)cc1)c1ccc(F)cc1
InChIInChI=1S/C20H19F2N3O.ClH/c21-15-7-3-13(4-8-15)18(14-5-9-16(22)10-6-14)19(24)20(26)25-11-1-2-17(25)12-23;/h3-10,17-19H,1-2,11,24H2;1H/t17-,19+;/m1./s1
InChIKeyKMQHAIKDGBBACH-ZFNKBKEPSA-N
XLogP3.36
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.85
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride with MolForge

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Related Compounds

F 1459
CID 162185
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Denagliptin
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1-(2-(S)-Amino-3-biphenyl-4-YL-propionyl)-pyrrolidine-2-(S)-carbonitrile
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CID 23645372
Ksp-IA
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beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
CID 25271577
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CID 10250452
(2S)-1-[(2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile
CID 11595565

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride?
The IUPAC name of (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride (CID 10135083) is (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride.
What is the SMILES notation for (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride?
The canonical SMILES for (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride is Cl.N#C[C@H]1CCCN1C(=O)[C@@H](N)C(c1ccc(F)cc1)c1ccc(F)cc1.
What is the InChIKey of (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride?
The InChIKey is KMQHAIKDGBBACH-ZFNKBKEPSA-N. The full InChI is InChI=1S/C20H19F2N3O.ClH/c21-15-7-3-13(4-8-15)18(14-5-9-16(22)10-6-14)19(24)20(26)25-11-1-2-17(25)12-23;/h3-10,17-19H,1-2,11,24H2;1H/t17-,19+;/m1./s1.
What are the key properties of (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride?
(2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride has a molecular weight of 391.85 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(2S)-2-amino-3,3-bis(4-fluorophenyl)propanoyl]pyrrolidine-2-carbonitrile;hydrochloride is sourced from PubChem (CID 10135083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).