1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid

C12H19NO3 — CID 62095220

IUPAC1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C12H19NO3/c1-13(9-5-3-2-4-6-9)10(14)12(7-8-12)11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyCLSINJRXGPUFJZ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds3

About 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid

1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid (PubChem CID 62095220) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
PubChem CID62095220
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid
SMILESCN(C(=O)C1(C(=O)O)CC1)C1CCCCC1
InChIInChI=1S/C12H19NO3/c1-13(9-5-3-2-4-6-9)10(14)12(7-8-12)11(15)16/h9H,2-8H2,1H3,(H,15,16)
InChIKeyCLSINJRXGPUFJZ-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-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

1-[cycloheptyl(methyl)carbamoyl]cyclobutane-1-carboxylic acid
CID 62097310
1-[methyl(piperidin-4-yl)carbamoyl]cyclobutane-1-carboxylic acid
CID 55035315
1-[methyl(thiolan-3-yl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096737
methyl 1-[cyclopentyl(methyl)carbamoyl]cyclobutane-1-carboxylate
CID 115184272
N-cyclohexyl-1-(hydroxymethyl)-N-methylcyclobutane-1-carboxamide
CID 115184029
1-[cyclohexyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 62096453
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76920039
4-amino-N-cycloheptyl-N-methyloxane-4-carboxamide
CID 115293762
1-[cyclobutyl(2-hydroxyethyl)carbamoyl]cyclopropane-1-carboxylic acid
CID 102866019
4-[[cyclohexyl(methyl)carbamoyl]amino]oxane-4-carboxylic acid
CID 115292782
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 76919966
N-cycloheptyl-N,2-dimethylpiperidine-2-carboxamide
CID 104596167

Frequently Asked Questions

What is the IUPAC name of 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid (CID 62095220) is 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid is CN(C(=O)C1(C(=O)O)CC1)C1CCCCC1.
What is the InChIKey of 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
The InChIKey is CLSINJRXGPUFJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-13(9-5-3-2-4-6-9)10(14)12(7-8-12)11(15)16/h9H,2-8H2,1H3,(H,15,16).
What are the key properties of 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid?
1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclohexyl(methyl)carbamoyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 62095220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).