2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid

C14H16N2O2 — CID 115240733

IUPAC2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid
SMILESNC(CNCc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C14H16N2O2/c15-13(14(17)18)9-16-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,16H,8-9,15H2,(H,17,18)
InChIKeyQDCZYJIHXLAWRQ-UHFFFAOYSA-N
MW244.29 g/mol
LogP1.34
Rot. Bonds5

About 2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid

2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid (PubChem CID 115240733) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid
PubChem CID115240733
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid
SMILESNC(CNCc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C14H16N2O2/c15-13(14(17)18)9-16-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,16H,8-9,15H2,(H,17,18)
InChIKeyQDCZYJIHXLAWRQ-UHFFFAOYSA-N
XLogP1.34
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 51.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-amino-3-(naphthalen-2-ylmethylamino)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

2-amino-3-[(3,4-dimethoxyphenyl)methylamino]propanoic acid
CID 64583436
2-amino-3-[(4-ethoxyphenyl)methylamino]propanoic acid
CID 115240669
2-amino-3-[(4-ethylsulfanylphenyl)methylamino]propanoic acid
CID 115240702
N'-(naphthalen-2-ylmethyl)methanediamine
CID 115225812
(2S)-2-amino-3-(4-naphthalen-2-ylphenyl)propanoic acid
CID 66662980
2-amino-3-[(3-ethyl-4-methoxyphenyl)methylamino]propanoic acid
CID 115240676
2-[(naphthalen-2-ylmethylamino)methyl]butan-1-ol
CID 115250860
methyl 2-(naphthalen-2-ylmethylamino)propanoate
CID 60691147
methyl 4-[(naphthalen-2-ylmethylamino)methyl]benzoate
CID 11573081
2-amino-3-[(2-methylphenyl)methylamino]propanoic acid
CID 64583841
2-amino-3-[(6-methyl-3-pyridinyl)methylamino]propanoic acid
CID 64584052
2-aminohexanoic acid;2-amino-3-naphthalen-2-ylpropanoic acid
CID 67173075

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid?
The IUPAC name of 2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid (CID 115240733) is 2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid.
What is the SMILES notation for 2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid?
The canonical SMILES for 2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid is NC(CNCc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of 2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid?
The InChIKey is QDCZYJIHXLAWRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c15-13(14(17)18)9-16-8-10-5-6-11-3-1-2-4-12(11)7-10/h1-7,13,16H,8-9,15H2,(H,17,18).
What are the key properties of 2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid?
2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid has a molecular weight of 244.29 g/mol, XLogP of 1.34, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(naphthalen-2-ylmethylamino)propanoic acid is sourced from PubChem (CID 115240733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).