3-[ethyl(propan-2-yl)amino]butanoic acid

C9H19NO2 — CID 43537443

IUPAC3-[ethyl(propan-2-yl)amino]butanoic acid
SMILESCCN(C(C)C)C(C)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-5-10(7(2)3)8(4)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyHMHNWSPSONURNE-UHFFFAOYSA-N
MW173.26 g/mol
LogP1.58
Rot. Bonds5

About 3-[ethyl(propan-2-yl)amino]butanoic acid

3-[ethyl(propan-2-yl)amino]butanoic acid (PubChem CID 43537443) has the molecular formula C9H19NO2 and a molecular weight of 173.26 g/mol. Its IUPAC name is 3-[ethyl(propan-2-yl)amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl(propan-2-yl)amino]butanoic acid
PubChem CID43537443
Molecular FormulaC9H19NO2
Molecular Weight173.26 g/mol
Exact Mass173.14
IUPAC Name3-[ethyl(propan-2-yl)amino]butanoic acid
SMILESCCN(C(C)C)C(C)CC(=O)O
InChIInChI=1S/C9H19NO2/c1-5-10(7(2)3)8(4)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12)
InChIKeyHMHNWSPSONURNE-UHFFFAOYSA-N
XLogP1.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.26
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[ethyl(propan-2-yl)amino]butanoic 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 3-[ethyl(propan-2-yl)amino]butanoic acid?
The IUPAC name of 3-[ethyl(propan-2-yl)amino]butanoic acid (CID 43537443) is 3-[ethyl(propan-2-yl)amino]butanoic acid.
What is the SMILES notation for 3-[ethyl(propan-2-yl)amino]butanoic acid?
The canonical SMILES for 3-[ethyl(propan-2-yl)amino]butanoic acid is CCN(C(C)C)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl(propan-2-yl)amino]butanoic acid?
The InChIKey is HMHNWSPSONURNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO2/c1-5-10(7(2)3)8(4)6-9(11)12/h7-8H,5-6H2,1-4H3,(H,11,12).
What are the key properties of 3-[ethyl(propan-2-yl)amino]butanoic acid?
3-[ethyl(propan-2-yl)amino]butanoic acid has a molecular weight of 173.26 g/mol, XLogP of 1.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(propan-2-yl)amino]butanoic acid is sourced from PubChem (CID 43537443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).