3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

C12H18N2O4 — CID 168695572

IUPAC3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESNC(=O)C1CC(=O)N(C2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C12H18N2O4/c13-11(16)8-5-10(15)14(6-8)9-3-1-2-7(4-9)12(17)18/h7-9H,1-6H2,(H2,13,16)(H,17,18)
InChIKeyYOMGUJFHSTWTGN-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.04
Rot. Bonds3

About 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid

3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (PubChem CID 168695572) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
PubChem CID168695572
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
SMILESNC(=O)C1CC(=O)N(C2CCCC(C(=O)O)C2)C1
InChIInChI=1S/C12H18N2O4/c13-11(16)8-5-10(15)14(6-8)9-3-1-2-7(4-9)12(17)18/h7-9H,1-6H2,(H2,13,16)(H,17,18)
InChIKeyYOMGUJFHSTWTGN-UHFFFAOYSA-N
XLogP-0.04
TPSA100.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-carboxycyclohexyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168690108
(3S)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 29451208
1-(1,1-dioxothian-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 43614759
1-(1-methylsulfonylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696646
1-cyclohexyl-N'-hydroxy-5-oxopyrrolidine-3-carboximidamide
CID 154733807
1-(1-ethylpiperidin-4-yl)-5-oxopyrrolidine-3-carboxamide
CID 168696194
(3R)-1-cyclopentyl-5-oxopyrrolidine-3-carboxylate
CID 6942092
1-cyclopentyl-6-oxopiperidine-3-carboxylic acid
CID 44827692
cyclobutyl (3R)-1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 96543978
cyclobutyl 1-cycloheptyl-5-oxopyrrolidine-3-carboxylate
CID 102559217
5-oxo-1-(1-pyrimidin-4-ylpiperidin-4-yl)pyrrolidine-3-carboxamide
CID 126899644
3-(3,4-dimethyl-2,5-dioxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid
CID 103499629

Frequently Asked Questions

What is the IUPAC name of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The IUPAC name of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid (CID 168695572) is 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is NC(=O)C1CC(=O)N(C2CCCC(C(=O)O)C2)C1.
What is the InChIKey of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
The InChIKey is YOMGUJFHSTWTGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c13-11(16)8-5-10(15)14(6-8)9-3-1-2-7(4-9)12(17)18/h7-9H,1-6H2,(H2,13,16)(H,17,18).
What are the key properties of 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid?
3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of -0.04, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-carbamoyl-2-oxopyrrolidin-1-yl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 168695572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).