2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid

C11H19NO4 — CID 65065884

IUPAC2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid
SMILESCC1CCCCC1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H19NO4/c1-8-4-2-3-5-9(8)12(6-10(13)14)7-11(15)16/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyZWHSKGFKEVJYFP-UHFFFAOYSA-N
MW229.28 g/mol
LogP1.04
Rot. Bonds5

About 2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid

2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid (PubChem CID 65065884) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid.

Molecular Properties

Compound Name2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid
PubChem CID65065884
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid
SMILESCC1CCCCC1N(CC(=O)O)CC(=O)O
InChIInChI=1S/C11H19NO4/c1-8-4-2-3-5-9(8)12(6-10(13)14)7-11(15)16/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16)
InChIKeyZWHSKGFKEVJYFP-UHFFFAOYSA-N
XLogP1.04
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[carboxymethyl-(2-methylcyclohexyl)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-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid?
The IUPAC name of 2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid (CID 65065884) is 2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid.
What is the SMILES notation for 2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid?
The canonical SMILES for 2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid is CC1CCCCC1N(CC(=O)O)CC(=O)O.
What is the InChIKey of 2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid?
The InChIKey is ZWHSKGFKEVJYFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-8-4-2-3-5-9(8)12(6-10(13)14)7-11(15)16/h8-9H,2-7H2,1H3,(H,13,14)(H,15,16).
What are the key properties of 2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid?
2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[carboxymethyl-(2-methylcyclohexyl)amino]acetic acid is sourced from PubChem (CID 65065884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).