(3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide

C23H26N4O2 — CID 57226964

IUPAC(3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide
SMILESN#Cc1ccc(C[C@@H](NC(=O)C[C@@H](N)c2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H26N4O2/c24-16-18-10-8-17(9-11-18)14-21(23(29)27-12-4-5-13-27)26-22(28)15-20(25)19-6-2-1-3-7-19/h1-3,6-11,20-21H,4-5,12-15,25H2,(H,26,28)/t20-,21-/m1/s1
InChIKeyFKSWAIJGZGTUOF-NHCUHLMSSA-N
MW390.49 g/mol
LogP2.30
Rot. Bonds7

About (3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide

(3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide (PubChem CID 57226964) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is (3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide.

Molecular Properties

Compound Name(3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide
PubChem CID57226964
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name(3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide
SMILESN#Cc1ccc(C[C@@H](NC(=O)C[C@@H](N)c2ccccc2)C(=O)N2CCCC2)cc1
InChIInChI=1S/C23H26N4O2/c24-16-18-10-8-17(9-11-18)14-21(23(29)27-12-4-5-13-27)26-22(28)15-20(25)19-6-2-1-3-7-19/h1-3,6-11,20-21H,4-5,12-15,25H2,(H,26,28)/t20-,21-/m1/s1
InChIKeyFKSWAIJGZGTUOF-NHCUHLMSSA-N
XLogP2.30
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(4-cyanophenyl)-3-oxo-3-pyrrolidin-1-ylpropyl]-3-(4-phenylphenyl)propanamide
CID 67620000
tert-butyl N-[3-[[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]amino]-3-oxo-1-(4-phenylphenyl)propyl]carbamate
CID 23002655
2-amino-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)acetamide
CID 119310977
N-(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)-2-phenylacetamide
CID 42696444
4-(2-amino-3-oxo-3-pyrrolidin-1-ylpropyl)benzonitrile;hydrochloride
CID 19703184
N-[(2R)-1-[4-[(4-cyanophenyl)methyl]-1,4-diazepan-1-yl]-1-oxo-3-phenylpropan-2-yl]thiophene-2-carboxamide
CID 31118974
3-amino-2-methyl-N-(1-oxo-3-phenyl-1-pyrrolidin-1-ylpropan-2-yl)-3-phenylpropanamide;hydrochloride
CID 119762004
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-3-phenylpropanamide
CID 110347374
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]-2-phenoxyacetamide
CID 110347375
N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]butanamide
CID 110347349
methyl N-[(2S)-1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl]carbamate
CID 110347389
N-[3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-1-(naphthalen-2-ylsulfamoyl)indole-2-carboxamide
CID 54009569

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide?
The IUPAC name of (3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide (CID 57226964) is (3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide.
What is the SMILES notation for (3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide?
The canonical SMILES for (3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide is N#Cc1ccc(C[C@@H](NC(=O)C[C@@H](N)c2ccccc2)C(=O)N2CCCC2)cc1.
What is the InChIKey of (3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide?
The InChIKey is FKSWAIJGZGTUOF-NHCUHLMSSA-N. The full InChI is InChI=1S/C23H26N4O2/c24-16-18-10-8-17(9-11-18)14-21(23(29)27-12-4-5-13-27)26-22(28)15-20(25)19-6-2-1-3-7-19/h1-3,6-11,20-21H,4-5,12-15,25H2,(H,26,28)/t20-,21-/m1/s1.
What are the key properties of (3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide?
(3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide has a molecular weight of 390.49 g/mol, XLogP of 2.30, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-N-[(2R)-3-(4-cyanophenyl)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-3-phenylpropanamide is sourced from PubChem (CID 57226964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).