4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid

C11H10ClNO3 — CID 82621815

IUPAC4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1C(=O)NCC1c1ccccc1Cl
InChIInChI=1S/C11H10ClNO3/c12-8-4-2-1-3-6(8)7-5-13-10(14)9(7)11(15)16/h1-4,7,9H,5H2,(H,13,14)(H,15,16)
InChIKeyMLVZUUPFXGUZTA-UHFFFAOYSA-N
MW239.66 g/mol
LogP1.25
Rot. Bonds2

About 4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid

4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid (PubChem CID 82621815) has the molecular formula C11H10ClNO3 and a molecular weight of 239.66 g/mol. Its IUPAC name is 4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
PubChem CID82621815
Molecular FormulaC11H10ClNO3
Molecular Weight239.66 g/mol
Exact Mass239.03
IUPAC Name4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
SMILESO=C(O)C1C(=O)NCC1c1ccccc1Cl
InChIInChI=1S/C11H10ClNO3/c12-8-4-2-1-3-6(8)7-5-13-10(14)9(7)11(15)16/h1-4,7,9H,5H2,(H,13,14)(H,15,16)
InChIKeyMLVZUUPFXGUZTA-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.66
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-2-oxo-4-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylic acid
CID 102171467
(3R,4S)-4-(2-chloro-4-methoxyphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 155904610
(3R,4S)-4-(1H-indol-3-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 15516005
(4S)-4-(5-chloro-1-methylpyrazol-4-yl)-2-oxopyrrolidine-3-carboxylic acid
CID 174336370
4-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 82388184
(3R,4R)-4-(4-tert-butylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 129452513
(2S)-3-(2-chlorophenyl)pyrrolidine-2-carboxylic acid
CID 70380425
6-(2-chlorophenyl)piperidine-3-carboxylic acid
CID 117168140
4-(4-methylsulfanylphenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 126643720
4-(2-chlorophenyl)cyclohexane-1-carboxylic acid
CID 18597617
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-oxo-4-phenylpyrrolidine-3-carboxamide
CID 6159848
4-(6-methoxy-3-pyridinyl)-2-oxopyrrolidine-3-carboxylic acid
CID 126643889

Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid?
The IUPAC name of 4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid (CID 82621815) is 4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid is O=C(O)C1C(=O)NCC1c1ccccc1Cl.
What is the InChIKey of 4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid?
The InChIKey is MLVZUUPFXGUZTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClNO3/c12-8-4-2-1-3-6(8)7-5-13-10(14)9(7)11(15)16/h1-4,7,9H,5H2,(H,13,14)(H,15,16).
What are the key properties of 4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid?
4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid has a molecular weight of 239.66 g/mol, XLogP of 1.25, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid is sourced from PubChem (CID 82621815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).