2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid

C15H18N2O4 — CID 102560091

IUPAC2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C15H18N2O4/c1-16(9-13(19)20)15(21)11-8-12(18)17(2)14(11)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,19,20)
InChIKeyIKQHVDKKXWUTKY-UHFFFAOYSA-N
MW290.32 g/mol
LogP0.75
Rot. Bonds4

About 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid

2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid (PubChem CID 102560091) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid.

Molecular Properties

Compound Name2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid
PubChem CID102560091
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid
SMILESCN(CC(=O)O)C(=O)C1CC(=O)N(C)C1c1ccccc1
InChIInChI=1S/C15H18N2O4/c1-16(9-13(19)20)15(21)11-8-12(18)17(2)14(11)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,19,20)
InChIKeyIKQHVDKKXWUTKY-UHFFFAOYSA-N
XLogP0.75
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]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-[methyl-(1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl)amino]acetic acid
CID 119172352
2-[methyl-[(2S,3R)-1-methyl-5-oxo-2-thiophen-2-ylpyrrolidine-3-carbonyl]amino]acetic acid
CID 125154369
3-[methyl-[(2R,3S)-1-methyl-5-oxo-2-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carbonyl]amino]propanoic acid
CID 125151099
(2S,3S)-2-(4-fluorophenyl)-N,1-dimethyl-N-[(1-methylpyrrol-2-yl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 97246224
(2R,3R)-N,1-bis(2-methoxyethyl)-N-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 110087249
(2S,3S)-N-[(2-fluorophenyl)methyl]-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
CID 164642813
N,N-diethyl-1-methyl-2-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 75538140
N-(3-amino-2,2-dimethylpropyl)-N,1-dimethyl-6-oxo-2-phenylpiperidine-3-carboxamide
CID 119654753
(2S,3R)-N-(2-hydroxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136577
(2S,3S)-N-[(2S)-2-hydroxy-2-phenylethyl]-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29134238
(2S,3S)-1-methyl-5-oxo-2-phenyl-N-(2-pyrrol-1-ylethyl)pyrrolidine-3-carboxamide
CID 125431962
2-[[2-(3-chlorophenyl)-1-methyl-5-oxopyrrolidine-3-carbonyl]-methylamino]propanoic acid
CID 119359150

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid?
The IUPAC name of 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid (CID 102560091) is 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid.
What is the SMILES notation for 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid?
The canonical SMILES for 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid is CN(CC(=O)O)C(=O)C1CC(=O)N(C)C1c1ccccc1.
What is the InChIKey of 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid?
The InChIKey is IKQHVDKKXWUTKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c1-16(9-13(19)20)15(21)11-8-12(18)17(2)14(11)10-6-4-3-5-7-10/h3-7,11,14H,8-9H2,1-2H3,(H,19,20).
What are the key properties of 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid?
2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid has a molecular weight of 290.32 g/mol, XLogP of 0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(1-methyl-5-oxo-2-phenylpyrrolidine-3-carbonyl)amino]acetic acid is sourced from PubChem (CID 102560091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).