2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid

C11H19NO4 — CID 115729870

IUPAC2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)COC1CCCCC1
InChIInChI=1S/C11H19NO4/c1-12(7-11(14)15)10(13)8-16-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,14,15)
InChIKeySWLXQRKGTMFOOG-UHFFFAOYSA-N
MW229.28 g/mol
LogP0.88
Rot. Bonds5

About 2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid

2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid (PubChem CID 115729870) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid
PubChem CID115729870
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Name2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)COC1CCCCC1
InChIInChI=1S/C11H19NO4/c1-12(7-11(14)15)10(13)8-16-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,14,15)
InChIKeySWLXQRKGTMFOOG-UHFFFAOYSA-N
XLogP0.88
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(2-cyclohexyloxyacetyl)-methylamino]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-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid (CID 115729870) is 2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)COC1CCCCC1.
What is the InChIKey of 2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid?
The InChIKey is SWLXQRKGTMFOOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO4/c1-12(7-11(14)15)10(13)8-16-9-5-3-2-4-6-9/h9H,2-8H2,1H3,(H,14,15).
What are the key properties of 2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid?
2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid has a molecular weight of 229.28 g/mol, XLogP of 0.88, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyclohexyloxyacetyl)-methylamino]acetic acid is sourced from PubChem (CID 115729870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).