2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid

C14H17NO4 — CID 62328696

IUPAC2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCCCOc1ccc(N2CCC(C(=O)O)C2=O)cc1
InChIInChI=1S/C14H17NO4/c1-2-9-19-11-5-3-10(4-6-11)15-8-7-12(13(15)16)14(17)18/h3-6,12H,2,7-9H2,1H3,(H,17,18)
InChIKeyIXGPAQDRTPVODV-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.91
Rot. Bonds5

About 2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid

2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 62328696) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID62328696
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCCCOc1ccc(N2CCC(C(=O)O)C2=O)cc1
InChIInChI=1S/C14H17NO4/c1-2-9-19-11-5-3-10(4-6-11)15-8-7-12(13(15)16)14(17)18/h3-6,12H,2,7-9H2,1H3,(H,17,18)
InChIKeyIXGPAQDRTPVODV-UHFFFAOYSA-N
XLogP1.91
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze 2-oxo-1-(4-propoxyphenyl)pyrrolidine-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

(3R)-2-oxo-1-(4-phenoxyphenyl)pyrrolidine-3-carboxylic acid
CID 42257007
1-(4-butylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 43378466
(3R)-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 40649107
(3R)-N-[(4-butoxyphenyl)methyl]-1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxamide
CID 94080020
1-(3-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 66831918
1-naphthalen-2-yl-2-oxopyrrolidine-3-carboxylic acid
CID 42853495
3-methyl-1-(4-propoxyphenyl)piperazine-2,5-dione
CID 64968773
1-(4-methoxy-3-methylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 54964622
1-[2-(4-propoxyphenoxy)ethyl]piperidine-4-carboxylic acid
CID 119908222
(3R)-5-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxamide
CID 99969292
1-(4-propoxyphenyl)-4-sulfanylpyrrolidin-2-one
CID 168708183
1-[(4-propoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 5233671

Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid (CID 62328696) is 2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid is CCCOc1ccc(N2CCC(C(=O)O)C2=O)cc1.
What is the InChIKey of 2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is IXGPAQDRTPVODV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-2-9-19-11-5-3-10(4-6-11)15-8-7-12(13(15)16)14(17)18/h3-6,12H,2,7-9H2,1H3,(H,17,18).
What are the key properties of 2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid?
2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 263.29 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-(4-propoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 62328696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).