(2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

C18H17NO3 — CID 57393180

IUPAC(2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO3/c20-17-11-10-16(18(21)22)19(17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,22)/t16-/m0/s1
InChIKeyVMVUOYMLEJABRL-INIZCTEOSA-N
MW295.34 g/mol
LogP2.93
Rot. Bonds4

About (2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid

(2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 57393180) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is (2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID57393180
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Name(2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCC(=O)N1Cc1ccc(-c2ccccc2)cc1
InChIInChI=1S/C18H17NO3/c20-17-11-10-16(18(21)22)19(17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,22)/t16-/m0/s1
InChIKeyVMVUOYMLEJABRL-INIZCTEOSA-N
XLogP2.93
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid 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)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid (CID 57393180) is (2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCC(=O)N1Cc1ccc(-c2ccccc2)cc1.
What is the InChIKey of (2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is VMVUOYMLEJABRL-INIZCTEOSA-N. The full InChI is InChI=1S/C18H17NO3/c20-17-11-10-16(18(21)22)19(17)12-13-6-8-15(9-7-13)14-4-2-1-3-5-14/h1-9,16H,10-12H2,(H,21,22)/t16-/m0/s1.
What are the key properties of (2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid?
(2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-oxo-1-[(4-phenylphenyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 57393180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).