(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C14H16NO4- — CID 7144626

IUPAC(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1OC
InChIInChI=1S/C14H17NO4/c1-3-15-12(16)8-10(14(17)18)13(15)9-6-4-5-7-11(9)19-2/h4-7,10,13H,3,8H2,1-2H3,(H,17,18)/p-1/t10-,13+/m1/s1
InChIKeyPSLRPQJJKWEIQG-MFKMUULPSA-M
MW262.28 g/mol
LogP0.35
Rot. Bonds4

About (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 7144626) has the molecular formula C14H16NO4- and a molecular weight of 262.28 g/mol. Its IUPAC name is (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Name(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID7144626
Molecular FormulaC14H16NO4-
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1OC
InChIInChI=1S/C14H17NO4/c1-3-15-12(16)8-10(14(17)18)13(15)9-6-4-5-7-11(9)19-2/h4-7,10,13H,3,8H2,1-2H3,(H,17,18)/p-1/t10-,13+/m1/s1
InChIKeyPSLRPQJJKWEIQG-MFKMUULPSA-M
XLogP0.35
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methoxyphenyl)methyl 1-benzyl-5-oxopyrrolidine-3-carboxylate
CID 25162384
3-(2,5-Dioxopyrrolidin-1-yl)-3-(4-methoxyphenyl)propanoic acid
CID 5297510
1-(2-Methoxybenzyl)-5-oxopyrrolidine-3-carboxylic acid
CID 590894
3-Acetamido-3-(2-ethoxyphenyl)propanoic acid
CID 50988018
Ethyl 3-methyl-4,8-dioxo-9-oxa-3-azatricyclo[8.4.0.0^{2,7}]tetradeca-1(10),6,11,13-tetraene-6-carboxylate
CID 25190452
1-Butyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4883004
(4-Methoxyphenyl)methyl 1-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxylate
CID 24818198
1-Cyclohexyl-2-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941167
(3R,5S)-5-(2-methoxyphenyl)-1-methyl-3-(piperidin-1-ylmethyl)pyrrolidin-2-one
CID 44565109
(3S*,4R*)-1-(cyclobutylmethyl)-4-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 70736921
(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-5-oxopyrrolidine-3-carboxylic acid
CID 6485998
(2R,3R)-2-(2,4-dimethoxyphenyl)-1-ethyl-N-methyl-5-oxopyrrolidine-3-carboxamide
CID 6502025

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 7144626) is (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is CCN1C(=O)C[C@@H](C(=O)[O-])[C@@H]1c1ccccc1OC.
What is the InChIKey of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is PSLRPQJJKWEIQG-MFKMUULPSA-M. The full InChI is InChI=1S/C14H17NO4/c1-3-15-12(16)8-10(14(17)18)13(15)9-6-4-5-7-11(9)19-2/h4-7,10,13H,3,8H2,1-2H3,(H,17,18)/p-1/t10-,13+/m1/s1.
What are the key properties of (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
(2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 262.28 g/mol, XLogP of 0.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1-ethyl-2-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 7144626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).