methyl 2-amino-2-naphthalen-2-ylacetate

C13H13NO2 — CID 3507541

IUPACmethyl 2-amino-2-naphthalen-2-ylacetate
SMILESCOC(=O)C(N)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,14H2,1H3
InChIKeyOWSZMZAENZHDLB-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.01
Rot. Bonds2

About methyl 2-amino-2-naphthalen-2-ylacetate

methyl 2-amino-2-naphthalen-2-ylacetate (PubChem CID 3507541) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 2-amino-2-naphthalen-2-ylacetate.

Molecular Properties

Compound Namemethyl 2-amino-2-naphthalen-2-ylacetate
PubChem CID3507541
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Namemethyl 2-amino-2-naphthalen-2-ylacetate
SMILESCOC(=O)C(N)c1ccc2ccccc2c1
InChIInChI=1S/C13H13NO2/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,14H2,1H3
InChIKeyOWSZMZAENZHDLB-UHFFFAOYSA-N
XLogP2.01
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.01
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-2-ylacetate?
The IUPAC name of methyl 2-amino-2-naphthalen-2-ylacetate (CID 3507541) is methyl 2-amino-2-naphthalen-2-ylacetate.
What is the SMILES notation for methyl 2-amino-2-naphthalen-2-ylacetate?
The canonical SMILES for methyl 2-amino-2-naphthalen-2-ylacetate is COC(=O)C(N)c1ccc2ccccc2c1.
What is the InChIKey of methyl 2-amino-2-naphthalen-2-ylacetate?
The InChIKey is OWSZMZAENZHDLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-16-13(15)12(14)11-7-6-9-4-2-3-5-10(9)8-11/h2-8,12H,14H2,1H3.
What are the key properties of methyl 2-amino-2-naphthalen-2-ylacetate?
methyl 2-amino-2-naphthalen-2-ylacetate has a molecular weight of 215.25 g/mol, XLogP of 2.01, 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-2-ylacetate is sourced from PubChem (CID 3507541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).