ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate

C13H13NO3 — CID 67856956

IUPACethyl 2-amino-7-hydroxynaphthalene-1-carboxylate
SMILESCCOC(=O)c1c(N)ccc2ccc(O)cc12
InChIInChI=1S/C13H13NO3/c1-2-17-13(16)12-10-7-9(15)5-3-8(10)4-6-11(12)14/h3-7,15H,2,14H2,1H3
InChIKeyWLNSRGZKOZVSEW-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.30
Rot. Bonds2

About ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate

ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate (PubChem CID 67856956) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-7-hydroxynaphthalene-1-carboxylate
PubChem CID67856956
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 2-amino-7-hydroxynaphthalene-1-carboxylate
SMILESCCOC(=O)c1c(N)ccc2ccc(O)cc12
InChIInChI=1S/C13H13NO3/c1-2-17-13(16)12-10-7-9(15)5-3-8(10)4-6-11(12)14/h3-7,15H,2,14H2,1H3
InChIKeyWLNSRGZKOZVSEW-UHFFFAOYSA-N
XLogP2.30
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;ethyl 5-hydroxy-2-methyl-1-benzofuran-3-carboxylate
CID 170599419
ethyl 2-amino-6-hydroxybenzoate
CID 70700315
ethoxycarbonyl 2-aminonaphthalene-1-carboxylate
CID 174719613
7-amino-8-methoxynaphthalen-2-ol
CID 115017708
ethyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 118437547
ethyl 6-amino-2-bromo-3-methylbenzoate
CID 131699648
ethyl 4,7-dihydroxy-1-methylisoquinoline-3-carboxylate
CID 142601053
ethyl 4-amino-2,3-dihydroxybenzoate
CID 174666783
ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
CID 1257583
ethyl 4-amino-3-hydroxybenzoate
CID 12784565
ethyl 5-hydroxy-3-methyl-1H-indole-2-carboxylate
CID 68865271
(3-ethoxycarbonyl-5-hydroxy-1-benzofuran-2-yl)methyl-dimethylazanium chloride
CID 44659997

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate?
The IUPAC name of ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate (CID 67856956) is ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate.
What is the SMILES notation for ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate?
The canonical SMILES for ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate is CCOC(=O)c1c(N)ccc2ccc(O)cc12.
What is the InChIKey of ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate?
The InChIKey is WLNSRGZKOZVSEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-17-13(16)12-10-7-9(15)5-3-8(10)4-6-11(12)14/h3-7,15H,2,14H2,1H3.
What are the key properties of ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate?
ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-7-hydroxynaphthalene-1-carboxylate is sourced from PubChem (CID 67856956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).