2-(dibutylamino)propanoic acid

C11H23NO2 — CID 20985342

IUPAC2-(dibutylamino)propanoic acid
SMILESCCCCN(CCCC)C(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-4-6-8-12(9-7-5-2)10(3)11(13)14/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyOSUSNJWIFNXXNC-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.36
Rot. Bonds8

About 2-(dibutylamino)propanoic acid

2-(dibutylamino)propanoic acid (PubChem CID 20985342) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 2-(dibutylamino)propanoic acid.

Molecular Properties

Compound Name2-(dibutylamino)propanoic acid
PubChem CID20985342
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name2-(dibutylamino)propanoic acid
SMILESCCCCN(CCCC)C(C)C(=O)O
InChIInChI=1S/C11H23NO2/c1-4-6-8-12(9-7-5-2)10(3)11(13)14/h10H,4-9H2,1-3H3,(H,13,14)
InChIKeyOSUSNJWIFNXXNC-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(dibutylamino)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-(dibutylamino)propanoic acid?
The IUPAC name of 2-(dibutylamino)propanoic acid (CID 20985342) is 2-(dibutylamino)propanoic acid.
What is the SMILES notation for 2-(dibutylamino)propanoic acid?
The canonical SMILES for 2-(dibutylamino)propanoic acid is CCCCN(CCCC)C(C)C(=O)O.
What is the InChIKey of 2-(dibutylamino)propanoic acid?
The InChIKey is OSUSNJWIFNXXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-4-6-8-12(9-7-5-2)10(3)11(13)14/h10H,4-9H2,1-3H3,(H,13,14).
What are the key properties of 2-(dibutylamino)propanoic acid?
2-(dibutylamino)propanoic acid has a molecular weight of 201.31 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dibutylamino)propanoic acid is sourced from PubChem (CID 20985342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).