1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid

C12H19NO3 — CID 63688368

IUPAC1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(C(=O)O)N(C=O)C1CC1
InChIInChI=1S/C12H19NO3/c1-9-4-2-3-7-12(9,11(15)16)13(8-14)10-5-6-10/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyCMVBCEXPSDBTKQ-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.64
Rot. Bonds4

About 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid

1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid (PubChem CID 63688368) has the molecular formula C12H19NO3 and a molecular weight of 225.29 g/mol. Its IUPAC name is 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid
PubChem CID63688368
Molecular FormulaC12H19NO3
Molecular Weight225.29 g/mol
Exact Mass225.14
IUPAC Name1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid
SMILESCC1CCCCC1(C(=O)O)N(C=O)C1CC1
InChIInChI=1S/C12H19NO3/c1-9-4-2-3-7-12(9,11(15)16)13(8-14)10-5-6-10/h8-10H,2-7H2,1H3,(H,15,16)
InChIKeyCMVBCEXPSDBTKQ-UHFFFAOYSA-N
XLogP1.64
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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': 'aldehyde', 'substructure': 'N/A'}

Analyze 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-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

Frequently Asked Questions

What is the IUPAC name of 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid (CID 63688368) is 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid is CC1CCCCC1(C(=O)O)N(C=O)C1CC1.
What is the InChIKey of 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid?
The InChIKey is CMVBCEXPSDBTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO3/c1-9-4-2-3-7-12(9,11(15)16)13(8-14)10-5-6-10/h8-10H,2-7H2,1H3,(H,15,16).
What are the key properties of 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid?
1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid has a molecular weight of 225.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[cyclopropyl(formyl)amino]-2-methylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 63688368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).