4-acetamido-5-amino-2-hydroxybenzoic acid

C9H10N2O4 — CID 56966036

IUPAC4-acetamido-5-amino-2-hydroxybenzoic acid
SMILESCC(=O)Nc1cc(O)c(C(=O)O)cc1N
InChIInChI=1S/C9H10N2O4/c1-4(12)11-7-3-8(13)5(9(14)15)2-6(7)10/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15)
InChIKeyOVQOBRIBIOHZSK-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.63
Rot. Bonds2

About 4-acetamido-5-amino-2-hydroxybenzoic acid

4-acetamido-5-amino-2-hydroxybenzoic acid (PubChem CID 56966036) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 4-acetamido-5-amino-2-hydroxybenzoic acid.

Molecular Properties

Compound Name4-acetamido-5-amino-2-hydroxybenzoic acid
PubChem CID56966036
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name4-acetamido-5-amino-2-hydroxybenzoic acid
SMILESCC(=O)Nc1cc(O)c(C(=O)O)cc1N
InChIInChI=1S/C9H10N2O4/c1-4(12)11-7-3-8(13)5(9(14)15)2-6(7)10/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15)
InChIKeyOVQOBRIBIOHZSK-UHFFFAOYSA-N
XLogP0.63
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-acetamido-4,5-dihydroxybenzoic acid
CID 19386799
5-acetamido-3-amino-2-hydroxybenzoic acid
CID 154386906
4-acetamido-2-hydroxy-5-[(4-methylphenyl)diazenyl]benzoic acid
CID 136679545
2-acetamido-4-hydroxybenzoic acid
CID 18452830
3-acetamido-5-chloro-2-hydroxybenzoic acid
CID 165348968
3-acetamido-5-amino-4-chlorobenzoic acid
CID 877397
2,4,6-triacetamidobenzoic acid
CID 155677349
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
CID 172784976
CID 172784976
sodium 2,4,5-trihydroxybenzoic acid
CID 54609951
N-(2-amino-4-fluorophenyl)acetamide;ethane
CID 178102337
5-amino-3-hydroxy-2,4-dimethylbenzoic acid
CID 105439220

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-5-amino-2-hydroxybenzoic acid?
The IUPAC name of 4-acetamido-5-amino-2-hydroxybenzoic acid (CID 56966036) is 4-acetamido-5-amino-2-hydroxybenzoic acid.
What is the SMILES notation for 4-acetamido-5-amino-2-hydroxybenzoic acid?
The canonical SMILES for 4-acetamido-5-amino-2-hydroxybenzoic acid is CC(=O)Nc1cc(O)c(C(=O)O)cc1N.
What is the InChIKey of 4-acetamido-5-amino-2-hydroxybenzoic acid?
The InChIKey is OVQOBRIBIOHZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-4(12)11-7-3-8(13)5(9(14)15)2-6(7)10/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 4-acetamido-5-amino-2-hydroxybenzoic acid?
4-acetamido-5-amino-2-hydroxybenzoic acid has a molecular weight of 210.19 g/mol, XLogP of 0.63, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-5-amino-2-hydroxybenzoic acid is sourced from PubChem (CID 56966036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).