4-methoxyiminocyclohexane-1-carboxylic acid

C8H13NO3 — CID 87145281

IUPAC4-methoxyiminocyclohexane-1-carboxylic acid
SMILESCON=C1CCC(C(=O)O)CC1
InChIInChI=1S/C8H13NO3/c1-12-9-7-4-2-6(3-5-7)8(10)11/h6H,2-5H2,1H3,(H,10,11)/b9-7-
InChIKeyKIKNAVCHAFGZIS-CLFYSBASSA-N
MW171.20 g/mol
LogP1.26
Rot. Bonds2

About 4-methoxyiminocyclohexane-1-carboxylic acid

4-methoxyiminocyclohexane-1-carboxylic acid (PubChem CID 87145281) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is 4-methoxyiminocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-methoxyiminocyclohexane-1-carboxylic acid
PubChem CID87145281
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name4-methoxyiminocyclohexane-1-carboxylic acid
SMILESCON=C1CCC(C(=O)O)CC1
InChIInChI=1S/C8H13NO3/c1-12-9-7-4-2-6(3-5-7)8(10)11/h6H,2-5H2,1H3,(H,10,11)/b9-7-
InChIKeyKIKNAVCHAFGZIS-CLFYSBASSA-N
XLogP1.26
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-methoxyiminocyclohexane-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

(Z)-methyl 3-(2-(hydroxyimino)cyclohexyl)propanoate
CID 5721347
Cyclohexanecarboxylic acid, 3,4-bis(hydroxyimino)-
CID 137229449
Cyclohexanecarboxylic acid, 4-(hydroxyimino)-, ethyl ester
CID 11593553
4,5,6,7-tetrahydro-3aH-2,1-benzoxazol-3-one
CID 12665307
2-Iminocyclohexane-1-carboxylic acid
CID 57150153
cyclohexanone O-(cyclohexylcarbonyl)oxime
CID 4948327
methyl (2Z)-2-cyclohexyl-2-hydroxyiminoacetate
CID 13611516
cyclopentanone O-cyclohexylcarbonyloxime
CID 129750187
cycloheptanone O-cyclohexylcarbonyloxime
CID 129750357
2-Isobutyliminocyclohexanecarboxylic acid
CID 129811907
4-Carboxycyclohexylidene imine
CID 129846521
(E)-2-((cyclohexylmethoxy)imino)propanoic acid
CID 137333413

Frequently Asked Questions

What is the IUPAC name of 4-methoxyiminocyclohexane-1-carboxylic acid?
The IUPAC name of 4-methoxyiminocyclohexane-1-carboxylic acid (CID 87145281) is 4-methoxyiminocyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-methoxyiminocyclohexane-1-carboxylic acid?
The canonical SMILES for 4-methoxyiminocyclohexane-1-carboxylic acid is CON=C1CCC(C(=O)O)CC1.
What is the InChIKey of 4-methoxyiminocyclohexane-1-carboxylic acid?
The InChIKey is KIKNAVCHAFGZIS-CLFYSBASSA-N. The full InChI is InChI=1S/C8H13NO3/c1-12-9-7-4-2-6(3-5-7)8(10)11/h6H,2-5H2,1H3,(H,10,11)/b9-7-.
What are the key properties of 4-methoxyiminocyclohexane-1-carboxylic acid?
4-methoxyiminocyclohexane-1-carboxylic acid has a molecular weight of 171.20 g/mol, XLogP of 1.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxyiminocyclohexane-1-carboxylic acid is sourced from PubChem (CID 87145281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).