4-(propylamino)butanoic acid

C7H15NO2 — CID 16769183

IUPAC4-(propylamino)butanoic acid
SMILESCCCNCCCC(=O)O
InChIInChI=1S/C7H15NO2/c1-2-5-8-6-3-4-7(9)10/h8H,2-6H2,1H3,(H,9,10)
InChIKeyAMLYYOLAQDRQED-UHFFFAOYSA-N
MW145.20 g/mol
LogP0.85
Rot. Bonds6

About 4-(propylamino)butanoic acid

4-(propylamino)butanoic acid (PubChem CID 16769183) has the molecular formula C7H15NO2 and a molecular weight of 145.20 g/mol. Its IUPAC name is 4-(propylamino)butanoic acid.

Molecular Properties

Compound Name4-(propylamino)butanoic acid
PubChem CID16769183
Molecular FormulaC7H15NO2
Molecular Weight145.20 g/mol
Exact Mass145.11
IUPAC Name4-(propylamino)butanoic acid
SMILESCCCNCCCC(=O)O
InChIInChI=1S/C7H15NO2/c1-2-5-8-6-3-4-7(9)10/h8H,2-6H2,1H3,(H,9,10)
InChIKeyAMLYYOLAQDRQED-UHFFFAOYSA-N
XLogP0.85
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.20
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(propylamino)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

Related Compounds

Gamma-Aminobutyric Acid
CID 119
4-Acetamidobutyric acid
CID 18189
4-((2-Carboxyethyl)amino)butanoic acid
CID 2572
4-(Methylamino)butyric acid
CID 70703
4-Methylaminobutanoate
CID 1550042
4-(Methylamino)butyric acid hydrochloride
CID 12626654
4-Methylaminobutyrate
CID 9543115
3-(propylcarbamoyl)propanoic Acid
CID 4034758
4-Amino(~2~H_6_)butanoic acid
CID 12405755
4-Amino(2,2-~2~H_2_)butanoic acid
CID 57685050
4-(~15~N)Aminobutanoic acid
CID 71310334
Methyl 4-(methylamino)butanoate
CID 14769104

Frequently Asked Questions

What is the IUPAC name of 4-(propylamino)butanoic acid?
The IUPAC name of 4-(propylamino)butanoic acid (CID 16769183) is 4-(propylamino)butanoic acid.
What is the SMILES notation for 4-(propylamino)butanoic acid?
The canonical SMILES for 4-(propylamino)butanoic acid is CCCNCCCC(=O)O.
What is the InChIKey of 4-(propylamino)butanoic acid?
The InChIKey is AMLYYOLAQDRQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2/c1-2-5-8-6-3-4-7(9)10/h8H,2-6H2,1H3,(H,9,10).
What are the key properties of 4-(propylamino)butanoic acid?
4-(propylamino)butanoic acid has a molecular weight of 145.20 g/mol, XLogP of 0.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(propylamino)butanoic acid is sourced from PubChem (CID 16769183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).