2-(3-aminonaphthalen-1-yl)butanoic acid

C14H15NO2 — CID 67115585

IUPAC2-(3-aminonaphthalen-1-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(N)cc2ccccc12
InChIInChI=1S/C14H15NO2/c1-2-11(14(16)17)13-8-10(15)7-9-5-3-4-6-12(9)13/h3-8,11H,2,15H2,1H3,(H,16,17)
InChIKeyBEJRRSHOTKXCOF-UHFFFAOYSA-N
MW229.28 g/mol
LogP3.00
Rot. Bonds3

About 2-(3-aminonaphthalen-1-yl)butanoic acid

2-(3-aminonaphthalen-1-yl)butanoic acid (PubChem CID 67115585) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-(3-aminonaphthalen-1-yl)butanoic acid.

Molecular Properties

Compound Name2-(3-aminonaphthalen-1-yl)butanoic acid
PubChem CID67115585
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-(3-aminonaphthalen-1-yl)butanoic acid
SMILESCCC(C(=O)O)c1cc(N)cc2ccccc12
InChIInChI=1S/C14H15NO2/c1-2-11(14(16)17)13-8-10(15)7-9-5-3-4-6-12(9)13/h3-8,11H,2,15H2,1H3,(H,16,17)
InChIKeyBEJRRSHOTKXCOF-UHFFFAOYSA-N
XLogP3.00
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(3-aminonaphthalen-1-yl)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

2-isoquinolin-4-ylbutanoic acid
CID 63940915
2-[2-(4-methoxynaphthalen-2-yl)phenyl]butanoic acid
CID 72942498
2-naphthalen-2-ylbutanoic acid
CID 27266
4-ethoxynaphthalen-2-amine
CID 57115135
2-(2-hydrazinylphenyl)butanoic acid
CID 69250626
2-(5-amino-1H-indol-3-yl)butanoic acid
CID 57352783
2-naphthalen-1-yldodecanoic acid
CID 23333439
3-methoxy-2-naphthalen-1-ylpropanoic acid
CID 84752957
(2S)-2-[(3-aminonaphthalene-1-carbonyl)amino]butanedioic acid
CID 22866684
ethyl (4S)-4-naphthalen-1-yl-3-oxohexanoate
CID 129382267
3-(3-ethoxy-4-hydroxyphenyl)-2-naphthalen-1-ylpropanoic acid
CID 83954183
2-(4-benzoylphenyl)butanoic acid
CID 22621594

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminonaphthalen-1-yl)butanoic acid?
The IUPAC name of 2-(3-aminonaphthalen-1-yl)butanoic acid (CID 67115585) is 2-(3-aminonaphthalen-1-yl)butanoic acid.
What is the SMILES notation for 2-(3-aminonaphthalen-1-yl)butanoic acid?
The canonical SMILES for 2-(3-aminonaphthalen-1-yl)butanoic acid is CCC(C(=O)O)c1cc(N)cc2ccccc12.
What is the InChIKey of 2-(3-aminonaphthalen-1-yl)butanoic acid?
The InChIKey is BEJRRSHOTKXCOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-11(14(16)17)13-8-10(15)7-9-5-3-4-6-12(9)13/h3-8,11H,2,15H2,1H3,(H,16,17).
What are the key properties of 2-(3-aminonaphthalen-1-yl)butanoic acid?
2-(3-aminonaphthalen-1-yl)butanoic acid has a molecular weight of 229.28 g/mol, XLogP of 3.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminonaphthalen-1-yl)butanoic acid is sourced from PubChem (CID 67115585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).