methyl 1-aminonaphthalene-2-carboxylate

C12H11NO2 — CID 18006268

IUPACmethyl 1-aminonaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1N
InChIInChI=1S/C12H11NO2/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7H,13H2,1H3
InChIKeyBQCNDQVTNMXQGK-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.21
Rot. Bonds1

About methyl 1-aminonaphthalene-2-carboxylate

methyl 1-aminonaphthalene-2-carboxylate (PubChem CID 18006268) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is methyl 1-aminonaphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-aminonaphthalene-2-carboxylate
PubChem CID18006268
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Namemethyl 1-aminonaphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2ccccc2c1N
InChIInChI=1S/C12H11NO2/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7H,13H2,1H3
InChIKeyBQCNDQVTNMXQGK-UHFFFAOYSA-N
XLogP2.21
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.21
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

methyl 1-methylnaphthalene-2-carboxylate
CID 13491498
(2-methoxycarbonylnaphthalen-1-yl)boronic acid
CID 155682723
methyl 1-acetyloxynaphthalene-2-carboxylate
CID 131865664
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110
1-aminonaphthalene-2-carbonyl iodide
CID 89199077
1-(1-aminonaphthalen-2-yl)-2-(ethylamino)ethanone
CID 70563290
sodium;hydride;methyl naphthalene-1-carboxylate
CID 173423630
methyl 1-(4-methylphenyl)naphthalene-2-carboxylate
CID 139635247
methyl 1-isocyanatonaphthalene-2-carboxylate
CID 169355286
methyl 4-(2-aminonaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylate
CID 10427547
(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
CID 67495002
methyl 1-[[1-[2-[(2-methoxycarbonylnaphthalen-1-yl)methoxy]naphthalen-1-yl]naphthalen-2-yl]oxymethyl]naphthalene-2-carboxylate
CID 177253516

Frequently Asked Questions

What is the IUPAC name of methyl 1-aminonaphthalene-2-carboxylate?
The IUPAC name of methyl 1-aminonaphthalene-2-carboxylate (CID 18006268) is methyl 1-aminonaphthalene-2-carboxylate.
What is the SMILES notation for methyl 1-aminonaphthalene-2-carboxylate?
The canonical SMILES for methyl 1-aminonaphthalene-2-carboxylate is COC(=O)c1ccc2ccccc2c1N.
What is the InChIKey of methyl 1-aminonaphthalene-2-carboxylate?
The InChIKey is BQCNDQVTNMXQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7H,13H2,1H3.
What are the key properties of methyl 1-aminonaphthalene-2-carboxylate?
methyl 1-aminonaphthalene-2-carboxylate has a molecular weight of 201.22 g/mol, XLogP of 2.21, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-aminonaphthalene-2-carboxylate is sourced from PubChem (CID 18006268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).