ethyl 3-aminonaphthalene-2-carboxylate

C13H13NO2 — CID 14678747

IUPACethyl 3-aminonaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C13H13NO2/c1-2-16-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h3-8H,2,14H2,1H3
InChIKeyOPZJRRFHEFBPCY-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.60
Rot. Bonds2

About ethyl 3-aminonaphthalene-2-carboxylate

ethyl 3-aminonaphthalene-2-carboxylate (PubChem CID 14678747) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 3-aminonaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 3-aminonaphthalene-2-carboxylate
PubChem CID14678747
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Nameethyl 3-aminonaphthalene-2-carboxylate
SMILESCCOC(=O)c1cc2ccccc2cc1N
InChIInChI=1S/C13H13NO2/c1-2-16-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h3-8H,2,14H2,1H3
InChIKeyOPZJRRFHEFBPCY-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-aminonaphthalene-2-carboxylate?
The IUPAC name of ethyl 3-aminonaphthalene-2-carboxylate (CID 14678747) is ethyl 3-aminonaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 3-aminonaphthalene-2-carboxylate?
The canonical SMILES for ethyl 3-aminonaphthalene-2-carboxylate is CCOC(=O)c1cc2ccccc2cc1N.
What is the InChIKey of ethyl 3-aminonaphthalene-2-carboxylate?
The InChIKey is OPZJRRFHEFBPCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-16-13(15)11-7-9-5-3-4-6-10(9)8-12(11)14/h3-8H,2,14H2,1H3.
What are the key properties of ethyl 3-aminonaphthalene-2-carboxylate?
ethyl 3-aminonaphthalene-2-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-aminonaphthalene-2-carboxylate is sourced from PubChem (CID 14678747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).