4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid

C10H15NO4 — CID 174774868

IUPAC4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=CCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H15NO4/c12-6-5-11-9(13)7-1-3-8(4-2-7)10(14)15/h6-8H,1-5H2,(H,11,13)(H,14,15)
InChIKeyMDEFBDZQOCADBU-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.19
Rot. Bonds4

About 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid

4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid (PubChem CID 174774868) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid
PubChem CID174774868
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Name4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid
SMILESO=CCNC(=O)C1CCC(C(=O)O)CC1
InChIInChI=1S/C10H15NO4/c12-6-5-11-9(13)7-1-3-8(4-2-7)10(14)15/h6-8H,1-5H2,(H,11,13)(H,14,15)
InChIKeyMDEFBDZQOCADBU-UHFFFAOYSA-N
XLogP0.19
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(cyclopropanecarbonylamino)methyl]cyclohexane-1-carboxylic acid
CID 79525311
4-[(1-cyclopropylcyclopropyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 114096792
cyclohexane-1,4-dicarboxylic acid;formic acid
CID 157153528
3-(2-oxoethylcarbamoyl)-7-oxabicyclo[2.2.1]heptane-2-carboxylic acid
CID 89326094
4-(cyclohexylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63782948
4-[(2-hydroxycyclohexyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 120673772
4-(2-methylsulfonylethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63784503
4-(pent-4-ynylcarbamoyl)cyclohexane-1-carboxylic acid
CID 106223186
4-[[3-(methylamino)-3-oxopropyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 63782655
4-[2-(diethylamino)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784312
cyclohexane-1,4-dicarboxylic acid;hydrobromide
CID 70215185
cyclopropanecarboxylic acid;hydroiodide
CID 67700319

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid (CID 174774868) is 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid is O=CCNC(=O)C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid?
The InChIKey is MDEFBDZQOCADBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c12-6-5-11-9(13)7-1-3-8(4-2-7)10(14)15/h6-8H,1-5H2,(H,11,13)(H,14,15).
What are the key properties of 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid?
4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid has a molecular weight of 213.23 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxoethylcarbamoyl)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 174774868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).