(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid

C15H19NO5 — CID 16765282

IUPAC(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H19NO5/c1-4-16-13(17)8-10(15(18)19)14(16)9-5-6-11(20-2)12(7-9)21-3/h5-7,10,14H,4,8H2,1-3H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyRWQVSNXKQWMIPT-YGRLFVJLSA-N
MW293.32 g/mol
LogP1.70
Rot. Bonds5

About (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid

(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 16765282) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
PubChem CID16765282
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
SMILESCCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(OC)c1
InChIInChI=1S/C15H19NO5/c1-4-16-13(17)8-10(15(18)19)14(16)9-5-6-11(20-2)12(7-9)21-3/h5-7,10,14H,4,8H2,1-3H3,(H,18,19)/t10-,14+/m1/s1
InChIKeyRWQVSNXKQWMIPT-YGRLFVJLSA-N
XLogP1.70
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2R,3R)-N-benzyl-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxamide
CID 110087637
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-N-(2-hydroxyethyl)-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 110087703
(2S,3S)-1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 17036709
1-ethyl-5-oxo-2-phenylpyrrolidine-3-carboxylic acid
CID 13361997
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 110087625
4-amino-5-(4-ethoxy-3-methoxyphenyl)-1-ethylpyrrolidin-2-one
CID 82193039
(2R,3S)-3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 90423804
3-(3-cyclopentyloxy-4-methoxyphenyl)-1-ethyl-5-oxopyrrolidine-2-carboxylic acid
CID 90423803
(2S,3R)-1-(2-methoxyethyl)-2-(6-methoxynaphthalen-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 95292042
5-(3,4-dimethoxyphenyl)-1-methyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 70595524
2-(4-fluorophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 63379341
5-amino-6-(4-ethoxy-3-methoxyphenyl)-1-ethylpiperidin-2-one
CID 82193334

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid (CID 16765282) is (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid is CCN1C(=O)C[C@@H](C(=O)O)[C@@H]1c1ccc(OC)c(OC)c1.
What is the InChIKey of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is RWQVSNXKQWMIPT-YGRLFVJLSA-N. The full InChI is InChI=1S/C15H19NO5/c1-4-16-13(17)8-10(15(18)19)14(16)9-5-6-11(20-2)12(7-9)21-3/h5-7,10,14H,4,8H2,1-3H3,(H,18,19)/t10-,14+/m1/s1.
What are the key properties of (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid?
(2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2-(3,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 16765282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).