methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride

C13H14ClNO2 — CID 11184299

IUPACmethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride
SMILESCOC(=O)C(N)c1cccc2ccccc12.Cl
InChIInChI=1S/C13H13NO2.ClH/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11;/h2-8,12H,14H2,1H3;1H
InChIKeyCAXBPJGUHOJEHZ-UHFFFAOYSA-N
MW251.71 g/mol
LogP2.43
Rot. Bonds2

About methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride

methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride (PubChem CID 11184299) has the molecular formula C13H14ClNO2 and a molecular weight of 251.71 g/mol. Its IUPAC name is methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride
PubChem CID11184299
Molecular FormulaC13H14ClNO2
Molecular Weight251.71 g/mol
Exact Mass251.07
IUPAC Namemethyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride
SMILESCOC(=O)C(N)c1cccc2ccccc12.Cl
InChIInChI=1S/C13H13NO2.ClH/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11;/h2-8,12H,14H2,1H3;1H
InChIKeyCAXBPJGUHOJEHZ-UHFFFAOYSA-N
XLogP2.43
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.71
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride?
The IUPAC name of methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride (CID 11184299) is methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride.
What is the SMILES notation for methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride?
The canonical SMILES for methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride is COC(=O)C(N)c1cccc2ccccc12.Cl.
What is the InChIKey of methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride?
The InChIKey is CAXBPJGUHOJEHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2.ClH/c1-16-13(15)12(14)11-8-4-6-9-5-2-3-7-10(9)11;/h2-8,12H,14H2,1H3;1H.
What are the key properties of methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride?
methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride has a molecular weight of 251.71 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-2-naphthalen-1-ylacetate;hydrochloride is sourced from PubChem (CID 11184299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).