3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid

C14H17ClN2O3 — CID 129414900

IUPAC3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C14H17ClN2O3/c1-16(8-7-13(18)19)12-6-9-17(14(12)20)11-5-3-2-4-10(11)15/h2-5,12H,6-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeySUEADDGEWQUGCI-LBPRGKRZSA-N
MW296.75 g/mol
LogP1.85
Rot. Bonds5

About 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid

3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid (PubChem CID 129414900) has the molecular formula C14H17ClN2O3 and a molecular weight of 296.75 g/mol. Its IUPAC name is 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
PubChem CID129414900
Molecular FormulaC14H17ClN2O3
Molecular Weight296.75 g/mol
Exact Mass296.09
IUPAC Name3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
SMILESCN(CCC(=O)O)[C@H]1CCN(c2ccccc2Cl)C1=O
InChIInChI=1S/C14H17ClN2O3/c1-16(8-7-13(18)19)12-6-9-17(14(12)20)11-5-3-2-4-10(11)15/h2-5,12H,6-9H2,1H3,(H,18,19)/t12-/m0/s1
InChIKeySUEADDGEWQUGCI-LBPRGKRZSA-N
XLogP1.85
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]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

3-[[(3S)-1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 129414901
3-[methyl-(2-oxo-1-phenylpyrrolidin-3-yl)amino]propanoic acid
CID 119958678
1-(2-chlorophenyl)-3-[4-hydroxybutyl(methyl)amino]pyrrolidin-2-one
CID 111113627
1-(2-chlorophenyl)-3-[(2-hydroxy-2-methylpropyl)-methylamino]pyrrolidin-2-one
CID 111113625
N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-(methylamino)acetamide
CID 119783339
(2S)-2-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid
CID 124694500
1-(2-chlorophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]pyrrolidin-2-one
CID 56787467
1-(2-chlorophenyl)-3-[[3-(hydroxymethyl)oxetan-3-yl]methyl-methylamino]pyrrolidin-2-one
CID 111976754
1-[[(3R)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 124590941
N-[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methylfuran-3-carboxamide
CID 95310213
(3S)-1-(2-chlorophenyl)-3-[2-(2-ethylpyrazol-3-yl)ethyl-methylamino]pyrrolidin-2-one
CID 125138396
2-amino-N-[1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-N-methyl-2-phenylacetamide;hydrochloride
CID 119323471

Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid?
The IUPAC name of 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid (CID 129414900) is 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid.
What is the SMILES notation for 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid?
The canonical SMILES for 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid is CN(CCC(=O)O)[C@H]1CCN(c2ccccc2Cl)C1=O.
What is the InChIKey of 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid?
The InChIKey is SUEADDGEWQUGCI-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H17ClN2O3/c1-16(8-7-13(18)19)12-6-9-17(14(12)20)11-5-3-2-4-10(11)15/h2-5,12H,6-9H2,1H3,(H,18,19)/t12-/m0/s1.
What are the key properties of 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid?
3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid has a molecular weight of 296.75 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-1-(2-chlorophenyl)-2-oxopyrrolidin-3-yl]-methylamino]propanoic acid is sourced from PubChem (CID 129414900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).