(2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid

C17H22ClNO3 — CID 67257944

IUPAC(2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CCC(=O)N1[C@@H](c2ccccc2Cl)CC[C@H]1C(=O)O
InChIInChI=1S/C17H22ClNO3/c1-11(2)7-10-16(20)19-14(8-9-15(19)17(21)22)12-5-3-4-6-13(12)18/h3-6,11,14-15H,7-10H2,1-2H3,(H,21,22)/t14-,15+/m1/s1
InChIKeyWVVSEJFKDOZRIC-CABCVRRESA-N
MW323.82 g/mol
LogP3.89
Rot. Bonds5

About (2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid

(2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid (PubChem CID 67257944) has the molecular formula C17H22ClNO3 and a molecular weight of 323.82 g/mol. Its IUPAC name is (2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid
PubChem CID67257944
Molecular FormulaC17H22ClNO3
Molecular Weight323.82 g/mol
Exact Mass323.13
IUPAC Name(2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid
SMILESCC(C)CCC(=O)N1[C@@H](c2ccccc2Cl)CC[C@H]1C(=O)O
InChIInChI=1S/C17H22ClNO3/c1-11(2)7-10-16(20)19-14(8-9-15(19)17(21)22)12-5-3-4-6-13(12)18/h3-6,11,14-15H,7-10H2,1-2H3,(H,21,22)/t14-,15+/m1/s1
InChIKeyWVVSEJFKDOZRIC-CABCVRRESA-N
XLogP3.89
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.82
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)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,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid (CID 67257944) is (2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid is CC(C)CCC(=O)N1[C@@H](c2ccccc2Cl)CC[C@H]1C(=O)O.
What is the InChIKey of (2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid?
The InChIKey is WVVSEJFKDOZRIC-CABCVRRESA-N. The full InChI is InChI=1S/C17H22ClNO3/c1-11(2)7-10-16(20)19-14(8-9-15(19)17(21)22)12-5-3-4-6-13(12)18/h3-6,11,14-15H,7-10H2,1-2H3,(H,21,22)/t14-,15+/m1/s1.
What are the key properties of (2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid?
(2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid has a molecular weight of 323.82 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-(2-chlorophenyl)-1-(4-methylpentanoyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67257944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).