2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid

C16H19NO4 — CID 174445455

IUPAC2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid
SMILESCOc1cc2cccc(OC)c2cc1C(C)C(N)C(=O)O
InChIInChI=1S/C16H19NO4/c1-9(15(17)16(18)19)11-8-12-10(7-14(11)21-3)5-4-6-13(12)20-2/h4-9,15H,17H2,1-3H3,(H,18,19)
InChIKeyDIJFMJBUPFSBGO-UHFFFAOYSA-N
MW289.33 g/mol
LogP2.37
Rot. Bonds5

About 2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid

2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid (PubChem CID 174445455) has the molecular formula C16H19NO4 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid.

Molecular Properties

Compound Name2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid
PubChem CID174445455
Molecular FormulaC16H19NO4
Molecular Weight289.33 g/mol
Exact Mass289.13
IUPAC Name2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid
SMILESCOc1cc2cccc(OC)c2cc1C(C)C(N)C(=O)O
InChIInChI=1S/C16H19NO4/c1-9(15(17)16(18)19)11-8-12-10(7-14(11)21-3)5-4-6-13(12)20-2/h4-9,15H,17H2,1-3H3,(H,18,19)
InChIKeyDIJFMJBUPFSBGO-UHFFFAOYSA-N
XLogP2.37
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-amino-3-(3,8-dimethoxynaphthalen-2-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

5-methoxynaphthalene-2,3-dicarboxylic acid
CID 10467078
2-[(3,8-dimethoxynaphthalen-2-yl)amino]acetic acid
CID 66808047
ethyl 3,8-dimethoxynaphthalene-2-carboxylate
CID 170872170
ethyl 2-(5-methoxynaphthalen-2-yl)propanoate
CID 138986784
[2-(2-amino-3-methylbutanoyl)oxy-3-methoxyphenyl] 2-amino-3-methylbutanoate
CID 175864999
7-iodo-1,6-dimethoxynaphthalene
CID 14004783
2-(2,3-dimethoxyphenyl)-2-hydroxyacetic acid
CID 54776000
2,3-diamino-3-(2,4-dimethoxyphenyl)propanoic acid
CID 116942209
2-(2,6-dimethoxyphenyl)-3-methylbutanoic acid
CID 116810992
(2S,3S)-2-amino-3-(2-methylphenyl)butanoic acid
CID 14598183
2-(2,3-dimethoxyphenyl)-2-methoxyacetic acid
CID 83224228
4-amino-3-(2,3-dimethoxyphenyl)pentanoic acid
CID 66096873

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid?
The IUPAC name of 2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid (CID 174445455) is 2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid.
What is the SMILES notation for 2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid?
The canonical SMILES for 2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid is COc1cc2cccc(OC)c2cc1C(C)C(N)C(=O)O.
What is the InChIKey of 2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid?
The InChIKey is DIJFMJBUPFSBGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO4/c1-9(15(17)16(18)19)11-8-12-10(7-14(11)21-3)5-4-6-13(12)20-2/h4-9,15H,17H2,1-3H3,(H,18,19).
What are the key properties of 2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid?
2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid has a molecular weight of 289.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(3,8-dimethoxynaphthalen-2-yl)butanoic acid is sourced from PubChem (CID 174445455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).