2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid

C10H19NO3 — CID 165451096

IUPAC2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid
SMILESCNOC1(CC(=O)O)CCC(C)CC1
InChIInChI=1S/C10H19NO3/c1-8-3-5-10(6-4-8,14-11-2)7-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyWZRCGUXWBPSQSS-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.56
Rot. Bonds4

About 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid

2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid (PubChem CID 165451096) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid
PubChem CID165451096
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid
SMILESCNOC1(CC(=O)O)CCC(C)CC1
InChIInChI=1S/C10H19NO3/c1-8-3-5-10(6-4-8,14-11-2)7-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13)
InChIKeyWZRCGUXWBPSQSS-UHFFFAOYSA-N
XLogP1.56
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic 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 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid?
The IUPAC name of 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid (CID 165451096) is 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid.
What is the SMILES notation for 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid?
The canonical SMILES for 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid is CNOC1(CC(=O)O)CCC(C)CC1.
What is the InChIKey of 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid?
The InChIKey is WZRCGUXWBPSQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8-3-5-10(6-4-8,14-11-2)7-9(12)13/h8,11H,3-7H2,1-2H3,(H,12,13).
What are the key properties of 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid?
2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-1-(methylaminooxy)cyclohexyl]acetic acid is sourced from PubChem (CID 165451096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).