2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid

C14H15NO2 — CID 138535602

IUPAC2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid
SMILESCc1cccc2cccc(CC(N)C(=O)O)c12
InChIInChI=1S/C14H15NO2/c1-9-4-2-5-10-6-3-7-11(13(9)10)8-12(15)14(16)17/h2-7,12H,8,15H2,1H3,(H,16,17)
InChIKeyDRXFNMSJISPDMD-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.10
Rot. Bonds3

About 2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid

2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid (PubChem CID 138535602) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid
PubChem CID138535602
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid
SMILESCc1cccc2cccc(CC(N)C(=O)O)c12
InChIInChI=1S/C14H15NO2/c1-9-4-2-5-10-6-3-7-11(13(9)10)8-12(15)14(16)17/h2-7,12H,8,15H2,1H3,(H,16,17)
InChIKeyDRXFNMSJISPDMD-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-amino-3-(8-methylnaphthalen-1-yl)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

Related Compounds

(2R)-2-amino-3-(2,3-dimethylphenyl)propanoic acid
CID 73011108
(2R)-2-amino-3-(2-hydroxy-3-methylphenyl)propanoic acid
CID 67254356
(2S)-2-amino-3-[3-methyl-2-(trifluoromethyl)phenyl]propanoic acid
CID 139968570
2-amino-3-(3-hydroxy-2-methylphenyl)propanoic acid
CID 55269104
2-amino-3-pyren-1-ylpropanoic acid
CID 53462380
(2R)-2-amino-3-(2,6-dimethylphenyl)propanoic acid;hydrochloride
CID 154728811
(2S)-2-amino-3-[2-(deuteriomethyl)phenyl]propanoic acid
CID 123633145
(2R)-2-amino-3-(3-amino-2-methylphenyl)propanoic acid
CID 130643080
(2R)-2-amino-3-(3-iodo-2-methylphenyl)propanoic acid;hydrochloride
CID 162344777
(2S)-2-amino-3-[4-(2,6-dimethylphenyl)phenyl]propanoic acid
CID 151523268
(2R)-2-amino-3-(2-boronophenyl)propanoic acid
CID 131503499
2-amino-3-(2-benzylphenyl)propanoic acid;hydrochloride
CID 70054981

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid (CID 138535602) is 2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid is Cc1cccc2cccc(CC(N)C(=O)O)c12.
What is the InChIKey of 2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid?
The InChIKey is DRXFNMSJISPDMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-9-4-2-5-10-6-3-7-11(13(9)10)8-12(15)14(16)17/h2-7,12H,8,15H2,1H3,(H,16,17).
What are the key properties of 2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid?
2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid has a molecular weight of 229.28 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(8-methylnaphthalen-1-yl)propanoic acid is sourced from PubChem (CID 138535602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).