(2S)-2-amino-3-naphthalen-1-ylpropanoic acid

C13H13NO2 — CID 2724883

IUPAC(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
SMILESN[C@@H](Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
InChIKeyOFYAYGJCPXRNBL-LBPRGKRZSA-N
MW215.25 g/mol
LogP1.79
Rot. Bonds3

About (2S)-2-amino-3-naphthalen-1-ylpropanoic acid

(2S)-2-amino-3-naphthalen-1-ylpropanoic acid (PubChem CID 2724883) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (2S)-2-amino-3-naphthalen-1-ylpropanoic acid.

Molecular Properties

Compound Name(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
PubChem CID2724883
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(2S)-2-amino-3-naphthalen-1-ylpropanoic acid
SMILESN[C@@H](Cc1cccc2ccccc12)C(=O)O
InChIInChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1
InChIKeyOFYAYGJCPXRNBL-LBPRGKRZSA-N
XLogP1.79
TPSA63.32 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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-naphthalen-1-ylpropanoic acid?
The IUPAC name of (2S)-2-amino-3-naphthalen-1-ylpropanoic acid (CID 2724883) is (2S)-2-amino-3-naphthalen-1-ylpropanoic acid.
What is the SMILES notation for (2S)-2-amino-3-naphthalen-1-ylpropanoic acid?
The canonical SMILES for (2S)-2-amino-3-naphthalen-1-ylpropanoic acid is N[C@@H](Cc1cccc2ccccc12)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-naphthalen-1-ylpropanoic acid?
The InChIKey is OFYAYGJCPXRNBL-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H13NO2/c14-12(13(15)16)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7,12H,8,14H2,(H,15,16)/t12-/m0/s1.
What are the key properties of (2S)-2-amino-3-naphthalen-1-ylpropanoic acid?
(2S)-2-amino-3-naphthalen-1-ylpropanoic acid has a molecular weight of 215.25 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-naphthalen-1-ylpropanoic acid is sourced from PubChem (CID 2724883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).