2-[(4-methylcyclohexylidene)amino]acetic acid

C9H15NO2 — CID 139845928

IUPAC2-[(4-methylcyclohexylidene)amino]acetic acid
SMILESCC1CCC(=NCC(=O)O)CC1
InChIInChI=1S/C9H15NO2/c1-7-2-4-8(5-3-7)10-6-9(11)12/h7H,2-6H2,1H3,(H,11,12)/b10-8-
InChIKeyNTLJWEFAAVRJJA-NTMALXAHSA-N
MW169.22 g/mol
LogP1.72
Rot. Bonds2

About 2-[(4-methylcyclohexylidene)amino]acetic acid

2-[(4-methylcyclohexylidene)amino]acetic acid (PubChem CID 139845928) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is 2-[(4-methylcyclohexylidene)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-methylcyclohexylidene)amino]acetic acid
PubChem CID139845928
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Name2-[(4-methylcyclohexylidene)amino]acetic acid
SMILESCC1CCC(=NCC(=O)O)CC1
InChIInChI=1S/C9H15NO2/c1-7-2-4-8(5-3-7)10-6-9(11)12/h7H,2-6H2,1H3,(H,11,12)/b10-8-
InChIKeyNTLJWEFAAVRJJA-NTMALXAHSA-N
XLogP1.72
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[(4-methylcyclohexylidene)amino]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-methylcyclohexylidene)amino]acetic acid?
The IUPAC name of 2-[(4-methylcyclohexylidene)amino]acetic acid (CID 139845928) is 2-[(4-methylcyclohexylidene)amino]acetic acid.
What is the SMILES notation for 2-[(4-methylcyclohexylidene)amino]acetic acid?
The canonical SMILES for 2-[(4-methylcyclohexylidene)amino]acetic acid is CC1CCC(=NCC(=O)O)CC1.
What is the InChIKey of 2-[(4-methylcyclohexylidene)amino]acetic acid?
The InChIKey is NTLJWEFAAVRJJA-NTMALXAHSA-N. The full InChI is InChI=1S/C9H15NO2/c1-7-2-4-8(5-3-7)10-6-9(11)12/h7H,2-6H2,1H3,(H,11,12)/b10-8-.
What are the key properties of 2-[(4-methylcyclohexylidene)amino]acetic acid?
2-[(4-methylcyclohexylidene)amino]acetic acid has a molecular weight of 169.22 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylcyclohexylidene)amino]acetic acid is sourced from PubChem (CID 139845928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).