3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid

C20H19ClN2O4 — CID 119252112

IUPAC3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)cc1
InChIInChI=1S/C20H19ClN2O4/c21-16-3-1-2-4-17(16)23-12-14(11-18(23)24)20(27)22-15-8-5-13(6-9-15)7-10-19(25)26/h1-6,8-9,14H,7,10-12H2,(H,22,27)(H,25,26)
InChIKeyQFFGCGWEABAXIJ-UHFFFAOYSA-N
MW386.84 g/mol
LogP3.35
Rot. Bonds6

About 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid

3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid (PubChem CID 119252112) has the molecular formula C20H19ClN2O4 and a molecular weight of 386.84 g/mol. Its IUPAC name is 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid.

Molecular Properties

Compound Name3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
PubChem CID119252112
Molecular FormulaC20H19ClN2O4
Molecular Weight386.84 g/mol
Exact Mass386.10
IUPAC Name3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid
SMILESO=C(O)CCc1ccc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)cc1
InChIInChI=1S/C20H19ClN2O4/c21-16-3-1-2-4-17(16)23-12-14(11-18(23)24)20(27)22-15-8-5-13(6-9-15)7-10-19(25)26/h1-6,8-9,14H,7,10-12H2,(H,22,27)(H,25,26)
InChIKeyQFFGCGWEABAXIJ-UHFFFAOYSA-N
XLogP3.35
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid with MolForge

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Related Compounds

(3S)-1-(2-chlorophenyl)-N-(4-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569550
N-(4-acetamidophenyl)-1-(2-chlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2951564
(3S)-1-(2-chlorophenyl)-N-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 804381
1-(2,3-dichlorophenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 113191372
(3S)-1-(2-chlorophenyl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26721715
(3R)-N-(4-butylphenyl)-1-(2-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 2203536
1-(2-ethylphenyl)-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 51148262
4-[[(3S)-1-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]benzoic acid
CID 9056533
1-(2-chlorophenyl)-5-oxo-N-(2-phenylphenyl)pyrrolidine-3-carboxamide
CID 112789630
1-(2-chlorophenyl)-N-(3,5-dimethoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 51159175
(3S)-1-(2-chlorophenyl)-5-oxo-N-(2-pyrrolidin-1-ylphenyl)pyrrolidine-3-carboxamide
CID 8832147
(3S)-1-(2-chlorophenyl)-N-(2,3-dichlorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 40569551

Frequently Asked Questions

What is the IUPAC name of 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid?
The IUPAC name of 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid (CID 119252112) is 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid.
What is the SMILES notation for 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid?
The canonical SMILES for 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid is O=C(O)CCc1ccc(NC(=O)C2CC(=O)N(c3ccccc3Cl)C2)cc1.
What is the InChIKey of 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid?
The InChIKey is QFFGCGWEABAXIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O4/c21-16-3-1-2-4-17(16)23-12-14(11-18(23)24)20(27)22-15-8-5-13(6-9-15)7-10-19(25)26/h1-6,8-9,14H,7,10-12H2,(H,22,27)(H,25,26).
What are the key properties of 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid?
3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid has a molecular weight of 386.84 g/mol, XLogP of 3.35, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[1-(2-chlorophenyl)-5-oxopyrrolidine-3-carbonyl]amino]phenyl]propanoic acid is sourced from PubChem (CID 119252112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).