3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

C12H18N2O4 — CID 114156975

IUPAC3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C1CC(NC(=O)C2CCCC(C(=O)O)C2)CN1
InChIInChI=1S/C12H18N2O4/c15-10-5-9(6-13-10)14-11(16)7-2-1-3-8(4-7)12(17)18/h7-9H,1-6H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyJVIXSPKHVBILOI-UHFFFAOYSA-N
MW254.29 g/mol
LogP-0.12
Rot. Bonds3

About 3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid

3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 114156975) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
PubChem CID114156975
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
SMILESO=C1CC(NC(=O)C2CCCC(C(=O)O)C2)CN1
InChIInChI=1S/C12H18N2O4/c15-10-5-9(6-13-10)14-11(16)7-2-1-3-8(4-7)12(17)18/h7-9H,1-6H2,(H,13,15)(H,14,16)(H,17,18)
InChIKeyJVIXSPKHVBILOI-UHFFFAOYSA-N
XLogP-0.12
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 5-0.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-amino-3-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 106197968
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid
CID 106184592
3-[(5-oxopyrrolidin-3-yl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 106191704
cis-(1S,2R)-2-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 106184637
6-oxo-N-(5-oxopyrrolidin-3-yl)piperidine-3-carboxamide
CID 104580966
cis-(1R,3S)-3-[(6-oxopiperidine-3-carbonyl)amino]cyclopentane-1-carboxylic acid
CID 106321143
2-methyl-N-(5-oxopyrrolidin-3-yl)cyclopropane-1-carboxamide
CID 130778358
3-amino-2-methyl-N-(5-oxopyrrolidin-3-yl)cyclohexane-1-carboxamide
CID 106197966
2-methyl-1-[(5-oxopyrrolidin-3-yl)carbamoyl]piperidine-4-carboxylic acid
CID 106191895
3-(oxan-4-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 55235400
3-(cyclopropylcarbamoyl)cyclopentane-1-carboxylic acid
CID 103549764
N-(3,5-dimethylcyclohexyl)-5-oxopyrrolidine-3-carboxamide
CID 78998864

Frequently Asked Questions

What is the IUPAC name of 3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid (CID 114156975) is 3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is O=C1CC(NC(=O)C2CCCC(C(=O)O)C2)CN1.
What is the InChIKey of 3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JVIXSPKHVBILOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c15-10-5-9(6-13-10)14-11(16)7-2-1-3-8(4-7)12(17)18/h7-9H,1-6H2,(H,13,15)(H,14,16)(H,17,18).
What are the key properties of 3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid?
3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of -0.12, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-oxopyrrolidin-3-yl)carbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 114156975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).