(2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile

C20H20FN3O — CID 23645376

IUPAC(2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FN3O/c21-17-9-7-16(8-10-17)15-5-3-14(4-6-15)12-19(23)20(25)24-11-1-2-18(24)13-22/h3-10,18-19H,1-2,11-12,23H2/t18-,19-/m0/s1
InChIKeyCUGCFSZVULKSPS-OALUTQOASA-N
MW337.40 g/mol
LogP2.88
Rot. Bonds4

About (2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile

(2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile (PubChem CID 23645376) has the molecular formula C20H20FN3O and a molecular weight of 337.40 g/mol. Its IUPAC name is (2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile.

Molecular Properties

Compound Name(2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile
PubChem CID23645376
Molecular FormulaC20H20FN3O
Molecular Weight337.40 g/mol
Exact Mass337.16
IUPAC Name(2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile
SMILESN#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H20FN3O/c21-17-9-7-16(8-10-17)15-5-3-14(4-6-15)12-19(23)20(25)24-11-1-2-18(24)13-22/h3-10,18-19H,1-2,11-12,23H2/t18-,19-/m0/s1
InChIKeyCUGCFSZVULKSPS-OALUTQOASA-N
XLogP2.88
TPSA70.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

F 1459
CID 162185
1-(2-(S)-Amino-3-biphenyl-4-YL-propionyl)-pyrrolidine-2-(S)-carbonitrile
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(2S)-1-[(2S)-2-amino-3-(4-iodophenyl)propanoyl]pyrrolidine-2-carbonitrile
CID 23645372
H-Pro-Phe-Phe-NH2
CID 44611435
beta-phenyl-D-phenylalanyl-N-propyl-L-prolinamide
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(2S,3S)-2-amino-3-(4''-fluorobiphenyl-4-yl)-1-((S)-3-fluoropyrrolidin-1-yl)butan-1-one
CID 9884543
Cyclohexanecarboxylic acid ((S)-1-phenethyl-pyrrolidin-2-ylmethyl)-amide
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(2S,3S)-3-amino-2-(4''-fluorobiphenyl-4-yl)-4-((S)-3-fluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxobutanamide
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Denagliptin
CID 9887755
(2S)-1-[(2S)-2-amino-3-[4-(2,4-difluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile
CID 11595565
(4R,5R)-5-amino-1-(2-phenylethyl)-4-(2,4,5-trifluorophenyl)piperidin-2-one
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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile?
The IUPAC name of (2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile (CID 23645376) is (2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile.
What is the SMILES notation for (2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile?
The canonical SMILES for (2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile is N#C[C@@H]1CCCN1C(=O)[C@@H](N)Cc1ccc(-c2ccc(F)cc2)cc1.
What is the InChIKey of (2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile?
The InChIKey is CUGCFSZVULKSPS-OALUTQOASA-N. The full InChI is InChI=1S/C20H20FN3O/c21-17-9-7-16(8-10-17)15-5-3-14(4-6-15)12-19(23)20(25)24-11-1-2-18(24)13-22/h3-10,18-19H,1-2,11-12,23H2/t18-,19-/m0/s1.
What are the key properties of (2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile?
(2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile has a molecular weight of 337.40 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoyl]pyrrolidine-2-carbonitrile is sourced from PubChem (CID 23645376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).