methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride

C14H16ClNO2 — CID 19963460

IUPACmethyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
SMILESCOC(=O)C(CN)c1cccc2ccccc12.Cl
InChIInChI=1S/C14H15NO2.ClH/c1-17-14(16)13(9-15)12-8-4-6-10-5-2-3-7-11(10)12;/h2-8,13H,9,15H2,1H3;1H
InChIKeyWHLVLIUVHNWOKP-UHFFFAOYSA-N
MW265.74 g/mol
LogP2.48
Rot. Bonds3

About methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride

methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride (PubChem CID 19963460) has the molecular formula C14H16ClNO2 and a molecular weight of 265.74 g/mol. Its IUPAC name is methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
PubChem CID19963460
Molecular FormulaC14H16ClNO2
Molecular Weight265.74 g/mol
Exact Mass265.09
IUPAC Namemethyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride
SMILESCOC(=O)C(CN)c1cccc2ccccc12.Cl
InChIInChI=1S/C14H15NO2.ClH/c1-17-14(16)13(9-15)12-8-4-6-10-5-2-3-7-11(10)12;/h2-8,13H,9,15H2,1H3;1H
InChIKeyWHLVLIUVHNWOKP-UHFFFAOYSA-N
XLogP2.48
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 ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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methyl 3,3,3-trichloro-2-naphthalen-1-ylpropanoate
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3-methoxy-2-naphthalen-1-ylpropanoic acid
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dimethyl 2-[(1S)-1-naphthalen-1-ylprop-2-enyl]propanedioate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride?
The IUPAC name of methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride (CID 19963460) is methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride is COC(=O)C(CN)c1cccc2ccccc12.Cl.
What is the InChIKey of methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride?
The InChIKey is WHLVLIUVHNWOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2.ClH/c1-17-14(16)13(9-15)12-8-4-6-10-5-2-3-7-11(10)12;/h2-8,13H,9,15H2,1H3;1H.
What are the key properties of methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride?
methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride has a molecular weight of 265.74 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-2-naphthalen-1-ylpropanoate;hydrochloride is sourced from PubChem (CID 19963460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).