(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide

C28H27FN4O2 — CID 10885184

IUPAC(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C28H27FN4O2/c29-23-16-19(17-30)13-14-22(23)18-32-27(34)24-12-7-15-33(24)28(35)26(31)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-14,16,24-26H,7,12,15,18,31H2,(H,32,34)/t24-,26+/m0/s1
InChIKeyONIGRDOFXRQJFD-AZGAKELHSA-N
MW470.55 g/mol
LogP3.46
Rot. Bonds7

About (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide

(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 10885184) has the molecular formula C28H27FN4O2 and a molecular weight of 470.55 g/mol. Its IUPAC name is (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
PubChem CID10885184
Molecular FormulaC28H27FN4O2
Molecular Weight470.55 g/mol
Exact Mass470.21
IUPAC Name(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide
SMILESN#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)c(F)c1
InChIInChI=1S/C28H27FN4O2/c29-23-16-19(17-30)13-14-22(23)18-32-27(34)24-12-7-15-33(24)28(35)26(31)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-14,16,24-26H,7,12,15,18,31H2,(H,32,34)/t24-,26+/m0/s1
InChIKeyONIGRDOFXRQJFD-AZGAKELHSA-N
XLogP3.46
TPSA99.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.55
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide (CID 10885184) is (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide is N#Cc1ccc(CNC(=O)[C@@H]2CCCN2C(=O)[C@H](N)C(c2ccccc2)c2ccccc2)c(F)c1.
What is the InChIKey of (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is ONIGRDOFXRQJFD-AZGAKELHSA-N. The full InChI is InChI=1S/C28H27FN4O2/c29-23-16-19(17-30)13-14-22(23)18-32-27(34)24-12-7-15-33(24)28(35)26(31)25(20-8-3-1-4-9-20)21-10-5-2-6-11-21/h1-6,8-11,13-14,16,24-26H,7,12,15,18,31H2,(H,32,34)/t24-,26+/m0/s1.
What are the key properties of (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide?
(2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 470.55 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[(2R)-2-amino-3,3-diphenylpropanoyl]-N-[(4-cyano-2-fluorophenyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 10885184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).