3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid

C11H9NO4 — CID 101198518

IUPAC3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid
SMILESNc1c(C(=O)O)c(O)c2ccccc2c1O
InChIInChI=1S/C11H9NO4/c12-8-7(11(15)16)9(13)5-3-1-2-4-6(5)10(8)14/h1-4,13-14H,12H2,(H,15,16)
InChIKeyCUXCPKOYJOPAPV-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.53
Rot. Bonds1

About 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid

3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid (PubChem CID 101198518) has the molecular formula C11H9NO4 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid
PubChem CID101198518
Molecular FormulaC11H9NO4
Molecular Weight219.20 g/mol
Exact Mass219.05
IUPAC Name3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid
SMILESNc1c(C(=O)O)c(O)c2ccccc2c1O
InChIInChI=1S/C11H9NO4/c12-8-7(11(15)16)9(13)5-3-1-2-4-6(5)10(8)14/h1-4,13-14H,12H2,(H,15,16)
InChIKeyCUXCPKOYJOPAPV-UHFFFAOYSA-N
XLogP1.53
TPSA103.78 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-3-hydroxynaphthalene-1,2-dicarboxylic acid
CID 139899447
3-amino-1,4-dihydroxynaphthalene-2-carbaldehyde
CID 59553034
4-hydroxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 54697499
2,4-dihydroxy-3-iodonaphthalene-1-carboxylic acid
CID 90954227
3-amino-4-hydroxynaphthalene-1-carboxylic acid
CID 45089646
1-amino-4-carbamoylnaphthalene-2,3-dicarboxylic acid
CID 139721854
2,3,4,5-tetraamino-6-hydroxybenzoic acid
CID 171781935
1-hydroxynaphthalene-2,3-dicarboxylic acid
CID 22665121
1,4-diaminonaphthalene-2,3-diol
CID 82254150
6-hydroxy-2-oxobenzo[h]chromene-5-carboxylic acid
CID 11448226
3,5-diamino-2,4-bis(phenyldiazenyl)-6-[(4-phenyldiazenylphenyl)diazenyl]benzoic acid
CID 89254790
acetic acid;phenanthrene-9,10-diol
CID 71435568

Frequently Asked Questions

What is the IUPAC name of 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid?
The IUPAC name of 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid (CID 101198518) is 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid.
What is the SMILES notation for 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid?
The canonical SMILES for 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid is Nc1c(C(=O)O)c(O)c2ccccc2c1O.
What is the InChIKey of 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid?
The InChIKey is CUXCPKOYJOPAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO4/c12-8-7(11(15)16)9(13)5-3-1-2-4-6(5)10(8)14/h1-4,13-14H,12H2,(H,15,16).
What are the key properties of 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid?
3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid has a molecular weight of 219.20 g/mol, XLogP of 1.53, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1,4-dihydroxynaphthalene-2-carboxylic acid is sourced from PubChem (CID 101198518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).