(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

C13H15NO4 — CID 51970481

IUPAC(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccccc1[C@H]1[C@@H](C(=O)O)CC(=O)N1C
InChIInChI=1S/C13H15NO4/c1-14-11(15)7-9(13(16)17)12(14)8-5-3-4-6-10(8)18-2/h3-6,9,12H,7H2,1-2H3,(H,16,17)/t9-,12-/m0/s1
InChIKeyPIIHILKJSXOOPP-CABZTGNLSA-N
MW249.27 g/mol
LogP1.30
Rot. Bonds3

About (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid

(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 51970481) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID51970481
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Name(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCOc1ccccc1[C@H]1[C@@H](C(=O)O)CC(=O)N1C
InChIInChI=1S/C13H15NO4/c1-14-11(15)7-9(13(16)17)12(14)8-5-3-4-6-10(8)18-2/h3-6,9,12H,7H2,1-2H3,(H,16,17)/t9-,12-/m0/s1
InChIKeyPIIHILKJSXOOPP-CABZTGNLSA-N
XLogP1.30
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic 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

(2S,3R)-1-(2-methoxyethyl)-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 51982857
2-(6-methoxy-3-pyridinyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 114938524
(2R,3R)-N-(2-methoxyphenyl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 29136953
2-(2-ethoxyphenyl)-5-oxo-1-propan-2-ylpyrrolidine-3-carboxylic acid
CID 63379248
(2S,3S)-2-(2-methoxyphenyl)-5-oxooxolane-3-carboxylic acid
CID 725397
(2R,3R)-2-(2-methoxyphenyl)-1-(4-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 7127617
(3R,4R)-4-(2-methoxyphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51441183
(2R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid;(3S)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 160516256
(2R,3R)-1-methyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxylic acid
CID 671219
(2S,3S)-2-(3-bromophenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid
CID 102534139
(2R,3S)-2-(2,3-dimethoxyphenyl)-N-(1H-indol-5-yl)-1-methyl-5-oxopyrrolidine-3-carboxamide
CID 52898129
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxo-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110086955

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid (CID 51970481) is (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid is COc1ccccc1[C@H]1[C@@H](C(=O)O)CC(=O)N1C.
What is the InChIKey of (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is PIIHILKJSXOOPP-CABZTGNLSA-N. The full InChI is InChI=1S/C13H15NO4/c1-14-11(15)7-9(13(16)17)12(14)8-5-3-4-6-10(8)18-2/h3-6,9,12H,7H2,1-2H3,(H,16,17)/t9-,12-/m0/s1.
What are the key properties of (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid?
(2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-2-(2-methoxyphenyl)-1-methyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 51970481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).