3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid

C14H18N2O3 — CID 119958678

IUPAC3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
SMILESCN(CCC(=O)O)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-15(9-8-13(17)18)12-7-10-16(14(12)19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,17,18)
InChIKeyJYEZYTZSZUKDAG-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.20
Rot. Bonds5

About 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid

3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid (PubChem CID 119958678) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
PubChem CID119958678
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
SMILESCN(CCC(=O)O)C1CCN(c2ccccc2)C1=O
InChIInChI=1S/C14H18N2O3/c1-15(9-8-13(17)18)12-7-10-16(14(12)19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,17,18)
InChIKeyJYEZYTZSZUKDAG-UHFFFAOYSA-N
XLogP1.20
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]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

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid (CID 119958678) is 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid is CN(CCC(=O)O)C1CCN(c2ccccc2)C1=O.
What is the InChIKey of 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid?
The InChIKey is JYEZYTZSZUKDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-15(9-8-13(17)18)12-7-10-16(14(12)19)11-5-3-2-4-6-11/h2-6,12H,7-10H2,1H3,(H,17,18).
What are the key properties of 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid?
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid has a molecular weight of 262.31 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid is sourced from PubChem (CID 119958678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).