2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid

C22H24N2O4 — CID 120541421

IUPAC2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
SMILESCC(Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1)C(=O)O
InChIInChI=1S/C22H24N2O4/c1-15(22(27)28)13-16-6-10-19(11-7-16)23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-20(24)25/h4-11,15H,2-3,12-14H2,1H3,(H,23,26)(H,27,28)
InChIKeyXDSJUPBZEGBVFV-UHFFFAOYSA-N
MW380.44 g/mol
LogP3.32
Rot. Bonds7

About 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid

2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid (PubChem CID 120541421) has the molecular formula C22H24N2O4 and a molecular weight of 380.44 g/mol. Its IUPAC name is 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
PubChem CID120541421
Molecular FormulaC22H24N2O4
Molecular Weight380.44 g/mol
Exact Mass380.17
IUPAC Name2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid
SMILESCC(Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1)C(=O)O
InChIInChI=1S/C22H24N2O4/c1-15(22(27)28)13-16-6-10-19(11-7-16)23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-20(24)25/h4-11,15H,2-3,12-14H2,1H3,(H,23,26)(H,27,28)
InChIKeyXDSJUPBZEGBVFV-UHFFFAOYSA-N
XLogP3.32
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.44
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic 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

N-(4-methoxyphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 25482305
4-[(2-oxopyrrolidin-1-yl)methyl]-N-(3-propan-2-ylphenyl)benzamide
CID 8732907
(2S)-4-methyl-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]pentanoic acid
CID 119362065
N-[4-(cyclopropanecarbonylamino)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 41266087
N-[4-(diethylsulfamoyl)phenyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 30394443
2-methyl-3-[4-[(4-morpholin-4-ylbenzoyl)amino]phenyl]propanoic acid
CID 120541058
(E)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]hex-4-enoic acid
CID 120693628
2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]acetic acid
CID 119137095
N-methylsulfonyl-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 47232606
N-[(1R)-1-(4-fluorophenyl)ethyl]-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 94012016
N-(4-chlorophenyl)-2-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]benzamide
CID 55466192
N-(4-methyl-3-sulfamoylphenyl)-4-[(2-oxopyrrolidin-1-yl)methyl]benzamide
CID 27708025

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid (CID 120541421) is 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid is CC(Cc1ccc(NC(=O)c2ccc(CN3CCCC3=O)cc2)cc1)C(=O)O.
What is the InChIKey of 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid?
The InChIKey is XDSJUPBZEGBVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O4/c1-15(22(27)28)13-16-6-10-19(11-7-16)23-21(26)18-8-4-17(5-9-18)14-24-12-2-3-20(24)25/h4-11,15H,2-3,12-14H2,1H3,(H,23,26)(H,27,28).
What are the key properties of 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid?
2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid has a molecular weight of 380.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-[[4-[(2-oxopyrrolidin-1-yl)methyl]benzoyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 120541421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).