methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride

C14H16ClNO2 — CID 112756151

IUPACmethyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1cccc2ccccc12.Cl
InChIInChI=1S/C14H15NO2.ClH/c1-17-14(16)9-13(15)12-8-4-6-10-5-2-3-7-11(10)12;/h2-8,13H,9,15H2,1H3;1H/t13-;/m1./s1
InChIKeyZNGAZRIEWXNCBQ-BTQNPOSSSA-N
MW265.74 g/mol
LogP2.82
Rot. Bonds3

About methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride

methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride (PubChem CID 112756151) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride
PubChem CID112756151
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Namemethyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride
SMILESCOC(=O)C[C@@H](N)c1cccc2ccccc12.Cl
InChIInChI=1S/C14H15NO2.ClH/c1-17-14(16)9-13(15)12-8-4-6-10-5-2-3-7-11(10)12;/h2-8,13H,9,15H2,1H3;1H/t13-;/m1./s1
InChIKeyZNGAZRIEWXNCBQ-BTQNPOSSSA-N
XLogP2.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.74
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride?
The IUPAC name of methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride (CID 112756151) is methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride?
The canonical SMILES for methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride is COC(=O)C[C@@H](N)c1cccc2ccccc12.Cl.
What is the InChIKey of methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride?
The InChIKey is ZNGAZRIEWXNCBQ-BTQNPOSSSA-N. The full InChI is InChI=1S/C14H15NO2.ClH/c1-17-14(16)9-13(15)12-8-4-6-10-5-2-3-7-11(10)12;/h2-8,13H,9,15H2,1H3;1H/t13-;/m1./s1.
What are the key properties of methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride?
methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R)-3-amino-3-naphthalen-1-ylpropanoate;hydrochloride is sourced from PubChem (CID 112756151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).