(2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride

C13H14ClNO2 — CID 44630411

IUPAC(2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C13H13NO2.ClH/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m0./s1
InChIKeyQXEYSNIVQNSZGX-YDALLXLXSA-N
MW251.71 g/mol
LogP2.22
Rot. Bonds3

About (2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride

(2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride (PubChem CID 44630411) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is (2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
PubChem CID44630411
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name(2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
SMILESCl.N[C@@H](Cc1ccc2ccccc2c1)C(=O)O
InChIInChI=1S/C13H13NO2.ClH/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m0./s1
InChIKeyQXEYSNIVQNSZGX-YDALLXLXSA-N
XLogP2.22
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.22
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-2-ylpropanoic acid;hydrochloride?
The IUPAC name of (2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride (CID 44630411) is (2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride.
What is the SMILES notation for (2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride?
The canonical SMILES for (2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride is Cl.N[C@@H](Cc1ccc2ccccc2c1)C(=O)O.
What is the InChIKey of (2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride?
The InChIKey is QXEYSNIVQNSZGX-YDALLXLXSA-N. The full InChI is InChI=1S/C13H13NO2.ClH/c14-12(13(15)16)8-9-5-6-10-3-1-2-4-11(10)7-9;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m0./s1.
What are the key properties of (2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride?
(2S)-2-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 2.22, 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-2-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 44630411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).