1-amino-6-methylnaphthalene-2-carboxylic acid

C12H11NO2 — CID 115022209

IUPAC1-amino-6-methylnaphthalene-2-carboxylic acid
SMILESCc1ccc2c(N)c(C(=O)O)ccc2c1
InChIInChI=1S/C12H11NO2/c1-7-2-4-9-8(6-7)3-5-10(11(9)13)12(14)15/h2-6H,13H2,1H3,(H,14,15)
InChIKeyOVQLDYPTMXXJIE-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.43
Rot. Bonds1

About 1-amino-6-methylnaphthalene-2-carboxylic acid

1-amino-6-methylnaphthalene-2-carboxylic acid (PubChem CID 115022209) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 1-amino-6-methylnaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-amino-6-methylnaphthalene-2-carboxylic acid
PubChem CID115022209
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name1-amino-6-methylnaphthalene-2-carboxylic acid
SMILESCc1ccc2c(N)c(C(=O)O)ccc2c1
InChIInChI=1S/C12H11NO2/c1-7-2-4-9-8(6-7)3-5-10(11(9)13)12(14)15/h2-6H,13H2,1H3,(H,14,15)
InChIKeyOVQLDYPTMXXJIE-UHFFFAOYSA-N
XLogP2.43
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-amino-6-hydroxynaphthalene-2-carboxylic acid
CID 115022788
6-methylnaphthalene-1,4-dicarboxylic acid
CID 23139708
7-methylnaphthalene-1,2,3-tricarboxylic acid
CID 143435448
6-methylnaphthalene-1-carboxylic acid;6-methylnaphthalene-2-carboxylic acid;7-methylnaphthalene-2-carboxylic acid
CID 159162077
2,7-dimethylphenanthrene;ethane
CID 91503011
8-amino-2-methylquinoline-7-carboxylic acid
CID 62953271
ethane;2-hydroxy-4-methylbenzoic acid
CID 145280120
2-carboxy-5-methylphenolate
CID 54675829
2-iodo-4-methylbenzoic acid
CID 4285392
(1-aminonaphthalen-2-yl)-(4-methylphenyl)methanone
CID 67495002
2-methyl-3-(6-methylnaphthalen-1-yl)-3-oxopropanoic acid
CID 70479628
7-methylquinoline-2,4-dicarboxylic acid
CID 121010351

Frequently Asked Questions

What is the IUPAC name of 1-amino-6-methylnaphthalene-2-carboxylic acid?
The IUPAC name of 1-amino-6-methylnaphthalene-2-carboxylic acid (CID 115022209) is 1-amino-6-methylnaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-amino-6-methylnaphthalene-2-carboxylic acid?
The canonical SMILES for 1-amino-6-methylnaphthalene-2-carboxylic acid is Cc1ccc2c(N)c(C(=O)O)ccc2c1.
What is the InChIKey of 1-amino-6-methylnaphthalene-2-carboxylic acid?
The InChIKey is OVQLDYPTMXXJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-2-4-9-8(6-7)3-5-10(11(9)13)12(14)15/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of 1-amino-6-methylnaphthalene-2-carboxylic acid?
1-amino-6-methylnaphthalene-2-carboxylic acid has a molecular weight of 201.22 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-6-methylnaphthalene-2-carboxylic acid is sourced from PubChem (CID 115022209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).