(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid

C14H15NO5 — CID 7232453

IUPAC(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCOC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1
InChIInChI=1S/C14H15NO5/c1-2-20-14(19)9-3-5-11(6-4-9)15-8-10(13(17)18)7-12(15)16/h3-6,10H,2,7-8H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyNPXFWULBRYXNLT-JTQLQIEISA-N
MW277.28 g/mol
LogP1.30
Rot. Bonds4

About (3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid

(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid (PubChem CID 7232453) has the molecular formula C14H15NO5 and a molecular weight of 277.28 g/mol. Its IUPAC name is (3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
PubChem CID7232453
Molecular FormulaC14H15NO5
Molecular Weight277.28 g/mol
Exact Mass277.10
IUPAC Name(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid
SMILESCCOC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1
InChIInChI=1S/C14H15NO5/c1-2-20-14(19)9-3-5-11(6-4-9)15-8-10(13(17)18)7-12(15)16/h3-6,10H,2,7-8H2,1H3,(H,17,18)/t10-/m0/s1
InChIKeyNPXFWULBRYXNLT-JTQLQIEISA-N
XLogP1.30
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-1-(4-ethoxycarbonylphenyl)-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

[2-(4-methylphenyl)-2-oxoethyl] 1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 4043923
5-oxo-1-(4-propan-2-yloxycarbonylphenyl)pyrrolidine-3-carboxylic acid
CID 50888665
1-[4-(2-ethoxy-2-oxoethyl)phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 134159277
ethyl 4-[[1-(4-acetylphenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113188983
ethyl (3S)-1-[4-[(4R)-4-ethoxycarbonyl-2-oxopyrrolidin-1-yl]phenyl]-5-oxopyrrolidine-3-carboxylate
CID 94076249
ethyl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684150
[1-(4-methylphenyl)-1-oxopropan-2-yl] 1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 11837784
1-(4-carbamoylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 4914567
(3S)-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 778085
ethyl 4-[[1-(4-cyanophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoate
CID 113192053
ethyl 4-[4-[(4-cyanophenyl)carbamoyl]-2-oxopyrrolidin-1-yl]benzoate
CID 113190637
ethyl 4-[4-(chlorosulfonylmethyl)-2-oxopyrrolidin-1-yl]benzoate
CID 168672815

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of (3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid (CID 7232453) is (3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid is CCOC(=O)c1ccc(N2C[C@@H](C(=O)O)CC2=O)cc1.
What is the InChIKey of (3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
The InChIKey is NPXFWULBRYXNLT-JTQLQIEISA-N. The full InChI is InChI=1S/C14H15NO5/c1-2-20-14(19)9-3-5-11(6-4-9)15-8-10(13(17)18)7-12(15)16/h3-6,10H,2,7-8H2,1H3,(H,17,18)/t10-/m0/s1.
What are the key properties of (3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid?
(3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid has a molecular weight of 277.28 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-ethoxycarbonylphenyl)-5-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 7232453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).