ethyl 6-aminonaphthalene-2-carboxylate

C13H13NO2 — CID 58111738

IUPACethyl 6-aminonaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2cc(N)ccc2c1
InChIInChI=1S/C13H13NO2/c1-2-16-13(15)11-4-3-10-8-12(14)6-5-9(10)7-11/h3-8H,2,14H2,1H3
InChIKeyZWODPMKBQPKIIT-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.60
Rot. Bonds2

About ethyl 6-aminonaphthalene-2-carboxylate

ethyl 6-aminonaphthalene-2-carboxylate (PubChem CID 58111738) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is ethyl 6-aminonaphthalene-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-aminonaphthalene-2-carboxylate
PubChem CID58111738
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Nameethyl 6-aminonaphthalene-2-carboxylate
SMILESCCOC(=O)c1ccc2cc(N)ccc2c1
InChIInChI=1S/C13H13NO2/c1-2-16-13(15)11-4-3-10-8-12(14)6-5-9(10)7-11/h3-8H,2,14H2,1H3
InChIKeyZWODPMKBQPKIIT-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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Related Compounds

ethyl 6,7-dichloronaphthalene-2-carboxylate
CID 10588016
ethyl 6-iodonaphthalene-2-carboxylate
CID 58151998
ethyl 4-aminobenzoate
CID 2337
2-O-[2-(6-acetylnaphthalene-2-carbonyl)oxyethyl] 6-O-ethyl naphthalene-2,6-dicarboxylate
CID 67965026
butane;ethyl 4-aminobenzoate
CID 67389405
ethyl 7-aminodibenzothiophene-3-carboxylate
CID 13065121
3,4-diaminobenzoic acid;ethyl 3,4-diaminobenzoate
CID 159294295
ethyl 6-ethoxy-5-(2-ethoxy-6-ethoxycarbonylnaphthalen-1-yl)naphthalene-2-carboxylate
CID 166059456
ethyl 2-ethylquinoline-6-carboxylate
CID 142697026
ethyl 2-oxo-1H-quinoline-7-carboxylate
CID 15091487
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
diethyl benzene-1,3-dicarboxylate
CID 12491

Frequently Asked Questions

What is the IUPAC name of ethyl 6-aminonaphthalene-2-carboxylate?
The IUPAC name of ethyl 6-aminonaphthalene-2-carboxylate (CID 58111738) is ethyl 6-aminonaphthalene-2-carboxylate.
What is the SMILES notation for ethyl 6-aminonaphthalene-2-carboxylate?
The canonical SMILES for ethyl 6-aminonaphthalene-2-carboxylate is CCOC(=O)c1ccc2cc(N)ccc2c1.
What is the InChIKey of ethyl 6-aminonaphthalene-2-carboxylate?
The InChIKey is ZWODPMKBQPKIIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-16-13(15)11-4-3-10-8-12(14)6-5-9(10)7-11/h3-8H,2,14H2,1H3.
What are the key properties of ethyl 6-aminonaphthalene-2-carboxylate?
ethyl 6-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 6-aminonaphthalene-2-carboxylate is sourced from PubChem (CID 58111738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).