(2S)-2-(naphthalen-1-ylamino)propanoic acid

C13H13NO2 — CID 18602768

IUPAC(2S)-2-(naphthalen-1-ylamino)propanoic acid
SMILESC[C@H](Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C13H13NO2/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,1H3,(H,15,16)/t9-/m0/s1
InChIKeyIYKLZBIWFXPUCS-VIFPVBQESA-N
MW215.25 g/mol
LogP2.72
Rot. Bonds3

About (2S)-2-(naphthalen-1-ylamino)propanoic acid

(2S)-2-(naphthalen-1-ylamino)propanoic acid (PubChem CID 18602768) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-(naphthalen-1-ylamino)propanoic acid.

Molecular Properties

Compound Name(2S)-2-(naphthalen-1-ylamino)propanoic acid
PubChem CID18602768
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(2S)-2-(naphthalen-1-ylamino)propanoic acid
SMILESC[C@H](Nc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C13H13NO2/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,1H3,(H,15,16)/t9-/m0/s1
InChIKeyIYKLZBIWFXPUCS-VIFPVBQESA-N
XLogP2.72
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze (2S)-2-(naphthalen-1-ylamino)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

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(naphthalen-1-ylamino)propanoic acid?
The IUPAC name of (2S)-2-(naphthalen-1-ylamino)propanoic acid (CID 18602768) is (2S)-2-(naphthalen-1-ylamino)propanoic acid.
What is the SMILES notation for (2S)-2-(naphthalen-1-ylamino)propanoic acid?
The canonical SMILES for (2S)-2-(naphthalen-1-ylamino)propanoic acid is C[C@H](Nc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-(naphthalen-1-ylamino)propanoic acid?
The InChIKey is IYKLZBIWFXPUCS-VIFPVBQESA-N. The full InChI is InChI=1S/C13H13NO2/c1-9(13(15)16)14-12-8-4-6-10-5-2-3-7-11(10)12/h2-9,14H,1H3,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-2-(naphthalen-1-ylamino)propanoic acid?
(2S)-2-(naphthalen-1-ylamino)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(naphthalen-1-ylamino)propanoic acid is sourced from PubChem (CID 18602768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).