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

C13H14ClNO2 — CID 127263273

IUPAC(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
SMILESCl.N[C@H](CC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2.ClH/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m1./s1
InChIKeyFBQWTBUFZZBNNV-UTONKHPSSA-N
MW251.71 g/mol
LogP2.74
Rot. Bonds3

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

(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride (PubChem CID 127263273) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is (3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride.

Molecular Properties

Compound Name(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
PubChem CID127263273
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Name(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride
SMILESCl.N[C@H](CC(=O)O)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2.ClH/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m1./s1
InChIKeyFBQWTBUFZZBNNV-UTONKHPSSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-3-naphthalen-2-ylpropanoic acid
CID 7016475
methyl (3R)-3-amino-3-naphthalen-2-ylpropanoate
CID 29059560
(3S)-3-naphthalen-2-ylbutanoic acid
CID 11350489
(3S)-3-amino-3-naphthalen-2-ylpropan-1-ol;hydrochloride
CID 171220879
(3S)-3-amino-3-(4-methoxyphenyl)propanoic acid;hydrochloride
CID 24832880
3-methoxy-1-naphthalen-2-ylbut-3-en-1-amine
CID 142977536
(1R)-3-methyl-1-naphthalen-2-ylbutan-1-amine;hydrochloride
CID 171201317
(3S)-3-amino-4-naphthalen-2-ylbutanoic acid
CID 2761622
(3S)-3-amino-3-(4-fluoro-3-phenylphenyl)propanoic acid
CID 135365867
4-amino-5-hydroxy-5-naphthalen-2-ylpentanoic acid
CID 82348137
3-amino-3-(3-amino-4-bromophenyl)propanoic acid
CID 117115837
3-amino-3-(3-fluorophenyl)propanoic acid
CID 580128

Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride?
The IUPAC name of (3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride (CID 127263273) is (3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride.
What is the SMILES notation for (3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride?
The canonical SMILES for (3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride is Cl.N[C@H](CC(=O)O)c1ccc2ccccc2c1.
What is the InChIKey of (3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride?
The InChIKey is FBQWTBUFZZBNNV-UTONKHPSSA-N. The full InChI is InChI=1S/C13H13NO2.ClH/c14-12(8-13(15)16)11-6-5-9-3-1-2-4-10(9)7-11;/h1-7,12H,8,14H2,(H,15,16);1H/t12-;/m1./s1.
What are the key properties of (3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride?
(3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-naphthalen-2-ylpropanoic acid;hydrochloride is sourced from PubChem (CID 127263273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).