2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid

C15H15ClN2O4 — CID 120551475

IUPAC2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H15ClN2O4/c16-8-2-1-3-9(6-8)18-5-4-12(14(18)20)17-13(19)10-7-11(10)15(21)22/h1-3,6,10-12H,4-5,7H2,(H,17,19)(H,21,22)
InChIKeyAFQLWBMCGLYSDH-UHFFFAOYSA-N
MW322.75 g/mol
LogP1.28
Rot. Bonds4

About 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid

2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 120551475) has the molecular formula C15H15ClN2O4 and a molecular weight of 322.75 g/mol. Its IUPAC name is 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID120551475
Molecular FormulaC15H15ClN2O4
Molecular Weight322.75 g/mol
Exact Mass322.07
IUPAC Name2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C(=O)NC1CCN(c2cccc(Cl)c2)C1=O
InChIInChI=1S/C15H15ClN2O4/c16-8-2-1-3-9(6-8)18-5-4-12(14(18)20)17-13(19)10-7-11(10)15(21)22/h1-3,6,10-12H,4-5,7H2,(H,17,19)(H,21,22)
InChIKeyAFQLWBMCGLYSDH-UHFFFAOYSA-N
XLogP1.28
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.75
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120551477
2-[(2-oxo-1-phenylpiperidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 119185398
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-hydroxypyrrolidine-2-carboxamide;hydrochloride
CID 119814123
1-(3-chlorophenyl)-2-oxopyrrolidine-3-carboxylic acid
CID 4122939
(3R)-1-(3-chlorophenyl)-3-(methylamino)pyrrolidin-2-one
CID 94236892
3-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]butanamide
CID 119814144
2-[3-[[1-(3-chlorophenyl)-2-oxopyrrolidine-3-carbonyl]amino]-2-oxopyrrolidin-1-yl]-3-methylbutanoic acid
CID 167982774
4-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]pentanamide;hydrochloride
CID 120563803
7-amino-N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]heptanamide;hydrochloride
CID 119814105
1-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122005444
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-4-nitro-1H-pyrrole-2-carboxamide
CID 75494677
N-[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]-2-(2-methoxyethylamino)acetamide
CID 119814150

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid (CID 120551475) is 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid is O=C(O)C1CC1C(=O)NC1CCN(c2cccc(Cl)c2)C1=O.
What is the InChIKey of 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is AFQLWBMCGLYSDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O4/c16-8-2-1-3-9(6-8)18-5-4-12(14(18)20)17-13(19)10-7-11(10)15(21)22/h1-3,6,10-12H,4-5,7H2,(H,17,19)(H,21,22).
What are the key properties of 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid?
2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 322.75 g/mol, XLogP of 1.28, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-chlorophenyl)-2-oxopyrrolidin-3-yl]carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 120551475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).