3-amino-2-methylnaphthalene-1-carboxylic acid

C12H11NO2 — CID 154166226

IUPAC3-amino-2-methylnaphthalene-1-carboxylic acid
SMILESCc1c(N)cc2ccccc2c1C(=O)O
InChIInChI=1S/C12H11NO2/c1-7-10(13)6-8-4-2-3-5-9(8)11(7)12(14)15/h2-6H,13H2,1H3,(H,14,15)
InChIKeyBRTWNLZGMJYQGE-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.43
Rot. Bonds1

About 3-amino-2-methylnaphthalene-1-carboxylic acid

3-amino-2-methylnaphthalene-1-carboxylic acid (PubChem CID 154166226) has the molecular formula C12H11NO2 and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-amino-2-methylnaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-methylnaphthalene-1-carboxylic acid
PubChem CID154166226
Molecular FormulaC12H11NO2
Molecular Weight201.22 g/mol
Exact Mass201.08
IUPAC Name3-amino-2-methylnaphthalene-1-carboxylic acid
SMILESCc1c(N)cc2ccccc2c1C(=O)O
InChIInChI=1S/C12H11NO2/c1-7-10(13)6-8-4-2-3-5-9(8)11(7)12(14)15/h2-6H,13H2,1H3,(H,14,15)
InChIKeyBRTWNLZGMJYQGE-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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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-methylnaphthalene-1-carboxylic acid?
The IUPAC name of 3-amino-2-methylnaphthalene-1-carboxylic acid (CID 154166226) is 3-amino-2-methylnaphthalene-1-carboxylic acid.
What is the SMILES notation for 3-amino-2-methylnaphthalene-1-carboxylic acid?
The canonical SMILES for 3-amino-2-methylnaphthalene-1-carboxylic acid is Cc1c(N)cc2ccccc2c1C(=O)O.
What is the InChIKey of 3-amino-2-methylnaphthalene-1-carboxylic acid?
The InChIKey is BRTWNLZGMJYQGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-7-10(13)6-8-4-2-3-5-9(8)11(7)12(14)15/h2-6H,13H2,1H3,(H,14,15).
What are the key properties of 3-amino-2-methylnaphthalene-1-carboxylic acid?
3-amino-2-methylnaphthalene-1-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 3-amino-2-methylnaphthalene-1-carboxylic acid is sourced from PubChem (CID 154166226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).