2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid

C10H19NO3 — CID 55209144

IUPAC2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
SMILESCC1CCCC(CO)(NCC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-8-3-2-4-10(5-8,7-12)11-6-9(13)14/h8,11-12H,2-7H2,1H3,(H,13,14)
InChIKeyQQQJOBMKMBMYKH-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.60
Rot. Bonds4

About 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid

2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid (PubChem CID 55209144) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
PubChem CID55209144
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid
SMILESCC1CCCC(CO)(NCC(=O)O)C1
InChIInChI=1S/C10H19NO3/c1-8-3-2-4-10(5-8,7-12)11-6-9(13)14/h8,11-12H,2-7H2,1H3,(H,13,14)
InChIKeyQQQJOBMKMBMYKH-UHFFFAOYSA-N
XLogP0.60
TPSA69.56 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-[[1-(hydroxymethyl)-3-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-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid?
The IUPAC name of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid (CID 55209144) is 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid.
What is the SMILES notation for 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid?
The canonical SMILES for 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid is CC1CCCC(CO)(NCC(=O)O)C1.
What is the InChIKey of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid?
The InChIKey is QQQJOBMKMBMYKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8-3-2-4-10(5-8,7-12)11-6-9(13)14/h8,11-12H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid?
2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid has a molecular weight of 201.27 g/mol, XLogP of 0.60, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(hydroxymethyl)-3-methylcyclohexyl]amino]acetic acid is sourced from PubChem (CID 55209144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).