2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid

C13H15NO3 — CID 115039420

IUPAC2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid
SMILESCc1ccc(N2CCC(CC(=O)O)C2=O)cc1
InChIInChI=1S/C13H15NO3/c1-9-2-4-11(5-3-9)14-7-6-10(13(14)17)8-12(15)16/h2-5,10H,6-8H2,1H3,(H,15,16)
InChIKeyNPTUQVICFPCZBH-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.82
Rot. Bonds3

About 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid

2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid (PubChem CID 115039420) has the molecular formula C13H15NO3 and a molecular weight of 233.27 g/mol. Its IUPAC name is 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid
PubChem CID115039420
Molecular FormulaC13H15NO3
Molecular Weight233.27 g/mol
Exact Mass233.11
IUPAC Name2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid
SMILESCc1ccc(N2CCC(CC(=O)O)C2=O)cc1
InChIInChI=1S/C13H15NO3/c1-9-2-4-11(5-3-9)14-7-6-10(13(14)17)8-12(15)16/h2-5,10H,6-8H2,1H3,(H,15,16)
InChIKeyNPTUQVICFPCZBH-UHFFFAOYSA-N
XLogP1.82
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid with MolForge

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

Launch Full Analysis

Related Compounds

2-[1-(4-cyanophenyl)-2-oxopyrrolidin-3-yl]acetic acid
CID 19697197
2-[1,4-bis(4-methylphenyl)-3-oxopiperazin-2-yl]acetic acid
CID 659171
2-(2-oxo-1-phenylpiperidin-3-yl)acetic acid
CID 115039422
2-[1-(4-methoxyphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 142761083
(3R)-3-[(2R)-3-hydroxy-2-methylpropyl]sulfanyl-1-(4-methylphenyl)pyrrolidin-2-one
CID 95968638
2-methyl-2-[[1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]amino]butanoic acid
CID 166214093
N-(2-hydroxypropyl)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carboxamide
CID 110902995
4-acetyl-3-methyl-1-(4-methylphenyl)piperazin-2-one
CID 24716337
2-[1-(4-methylphenyl)piperidin-2-yl]acetic acid
CID 117027896
2-[1-[1-(4-methylphenyl)-5-oxopyrrolidine-3-carbonyl]piperidin-4-yl]acetic acid
CID 119178799
2-amino-2-(4-methylphenyl)-N-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetamide
CID 120668837
3-[(3S)-1-[(3S)-1-(4-methylphenyl)-2-oxopyrrolidine-3-carbonyl]piperidin-3-yl]propanoic acid
CID 124694731

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid (CID 115039420) is 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid is Cc1ccc(N2CCC(CC(=O)O)C2=O)cc1.
What is the InChIKey of 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid?
The InChIKey is NPTUQVICFPCZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO3/c1-9-2-4-11(5-3-9)14-7-6-10(13(14)17)8-12(15)16/h2-5,10H,6-8H2,1H3,(H,15,16).
What are the key properties of 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid?
2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid has a molecular weight of 233.27 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methylphenyl)-2-oxopyrrolidin-3-yl]acetic acid is sourced from PubChem (CID 115039420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).