3-amino-4-hydroxynaphthalene-1-carboxylic acid

C11H9NO3 — CID 45089646

IUPAC3-amino-4-hydroxynaphthalene-1-carboxylic acid
SMILESNc1cc(C(=O)O)c2ccccc2c1O
InChIInChI=1S/C11H9NO3/c12-9-5-8(11(14)15)6-3-1-2-4-7(6)10(9)13/h1-5,13H,12H2,(H,14,15)
InChIKeyDZZSVBQUFJJMCG-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.83
Rot. Bonds1

About 3-amino-4-hydroxynaphthalene-1-carboxylic acid

3-amino-4-hydroxynaphthalene-1-carboxylic acid (PubChem CID 45089646) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 3-amino-4-hydroxynaphthalene-1-carboxylic acid.

Molecular Properties

Compound Name3-amino-4-hydroxynaphthalene-1-carboxylic acid
PubChem CID45089646
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name3-amino-4-hydroxynaphthalene-1-carboxylic acid
SMILESNc1cc(C(=O)O)c2ccccc2c1O
InChIInChI=1S/C11H9NO3/c12-9-5-8(11(14)15)6-3-1-2-4-7(6)10(9)13/h1-5,13H,12H2,(H,14,15)
InChIKeyDZZSVBQUFJJMCG-UHFFFAOYSA-N
XLogP1.83
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-benzoyl-1-hydroxynaphthalene-2-carboxylic acid
CID 154089670
2-hydroxynaphthalene-1,4-dicarboxylic acid
CID 70121487
naphthalene-1,4-dicarboxylic acid;vanadium
CID 175565757
3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid
CID 101198518
4-amino-1-hydroxy-N,N-dimethylnaphthalene-2-carboxamide
CID 14127490
3-aminonaphthalene-2-carboxylic acid;2-aminophenol
CID 70253248
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
dizinc;4-(3-carboxy-2-hydroxynaphthalen-1-yl)-3-hydroxynaphthalene-2-carboxylic acid
CID 161380259
3-amino-2-hydroxy-5-(2-hydroxybenzoyl)benzoic acid
CID 70437560
4-hydroxy-3-methylnaphthalene-2-carboxylic acid
CID 58932971
sodium;3-amino-4-hydroxynaphthalene-1-sulfonic acid;hydride
CID 173284943
4-amino-3-hydroxynaphthalene-1,2-dicarboxylic acid
CID 139899447

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-hydroxynaphthalene-1-carboxylic acid?
The IUPAC name of 3-amino-4-hydroxynaphthalene-1-carboxylic acid (CID 45089646) is 3-amino-4-hydroxynaphthalene-1-carboxylic acid.
What is the SMILES notation for 3-amino-4-hydroxynaphthalene-1-carboxylic acid?
The canonical SMILES for 3-amino-4-hydroxynaphthalene-1-carboxylic acid is Nc1cc(C(=O)O)c2ccccc2c1O.
What is the InChIKey of 3-amino-4-hydroxynaphthalene-1-carboxylic acid?
The InChIKey is DZZSVBQUFJJMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c12-9-5-8(11(14)15)6-3-1-2-4-7(6)10(9)13/h1-5,13H,12H2,(H,14,15).
What are the key properties of 3-amino-4-hydroxynaphthalene-1-carboxylic acid?
3-amino-4-hydroxynaphthalene-1-carboxylic acid has a molecular weight of 203.20 g/mol, XLogP of 1.83, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-hydroxynaphthalene-1-carboxylic acid is sourced from PubChem (CID 45089646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).