2-(cyclohexylmethylamino)propanoic acid

C10H19NO2 — CID 19890160

IUPAC2-(cyclohexylmethylamino)propanoic acid
SMILESCC(NCC1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(10(12)13)11-7-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyWJKDLPNPTVIUID-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.63
Rot. Bonds4

About 2-(cyclohexylmethylamino)propanoic acid

2-(cyclohexylmethylamino)propanoic acid (PubChem CID 19890160) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-(cyclohexylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-(cyclohexylmethylamino)propanoic acid
PubChem CID19890160
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name2-(cyclohexylmethylamino)propanoic acid
SMILESCC(NCC1CCCCC1)C(=O)O
InChIInChI=1S/C10H19NO2/c1-8(10(12)13)11-7-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13)
InChIKeyWJKDLPNPTVIUID-UHFFFAOYSA-N
XLogP1.63
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(cyclohexylmethylamino)propanoic 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-(cyclohexylmethylamino)propanoic acid?
The IUPAC name of 2-(cyclohexylmethylamino)propanoic acid (CID 19890160) is 2-(cyclohexylmethylamino)propanoic acid.
What is the SMILES notation for 2-(cyclohexylmethylamino)propanoic acid?
The canonical SMILES for 2-(cyclohexylmethylamino)propanoic acid is CC(NCC1CCCCC1)C(=O)O.
What is the InChIKey of 2-(cyclohexylmethylamino)propanoic acid?
The InChIKey is WJKDLPNPTVIUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-8(10(12)13)11-7-9-5-3-2-4-6-9/h8-9,11H,2-7H2,1H3,(H,12,13).
What are the key properties of 2-(cyclohexylmethylamino)propanoic acid?
2-(cyclohexylmethylamino)propanoic acid has a molecular weight of 185.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylmethylamino)propanoic acid is sourced from PubChem (CID 19890160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).