5-acetamido-3-amino-2-hydroxybenzoic acid

C9H10N2O4 — CID 154386906

IUPAC5-acetamido-3-amino-2-hydroxybenzoic acid
SMILESCC(=O)Nc1cc(N)c(O)c(C(=O)O)c1
InChIInChI=1S/C9H10N2O4/c1-4(12)11-5-2-6(9(14)15)8(13)7(10)3-5/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15)
InChIKeyXXDBXUYOJYLVJI-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.63
Rot. Bonds2

About 5-acetamido-3-amino-2-hydroxybenzoic acid

5-acetamido-3-amino-2-hydroxybenzoic acid (PubChem CID 154386906) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 5-acetamido-3-amino-2-hydroxybenzoic acid.

Molecular Properties

Compound Name5-acetamido-3-amino-2-hydroxybenzoic acid
PubChem CID154386906
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name5-acetamido-3-amino-2-hydroxybenzoic acid
SMILESCC(=O)Nc1cc(N)c(O)c(C(=O)O)c1
InChIInChI=1S/C9H10N2O4/c1-4(12)11-5-2-6(9(14)15)8(13)7(10)3-5/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15)
InChIKeyXXDBXUYOJYLVJI-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': 'catechol', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-5-chloro-4-hydroxyphenyl)acetamide
CID 70464969
5-acetamido-2,3-dimethylbenzoic acid
CID 63020849
N-(3,5-diacetamidophenyl)acetamide
CID 12731559
4-acetamido-5-amino-2-hydroxybenzoic acid
CID 56966036
3,5-diacetamido-2-bromobenzoic acid
CID 142675642
2-aminobenzoic acid;N-(4-hydroxyphenyl)acetamide;sulfurothioic O-acid
CID 46916926
3-acetamido-5-chloro-2-hydroxybenzoic acid
CID 165348968
4-acetamido-2-hydrazinylbenzoic acid
CID 163448849
4-acetamido-3,5-dichloro-2-hydroxybenzoic acid
CID 172866613
2,4,6-triacetamidobenzoic acid
CID 155677349
N-(4-acetamido-3-aminophenyl)acetamide;hydrochloride
CID 17385562
5-acetamido-2-[[(2S)-2-amino-3-methylbutanoyl]amino]benzoic acid
CID 61157962

Frequently Asked Questions

What is the IUPAC name of 5-acetamido-3-amino-2-hydroxybenzoic acid?
The IUPAC name of 5-acetamido-3-amino-2-hydroxybenzoic acid (CID 154386906) is 5-acetamido-3-amino-2-hydroxybenzoic acid.
What is the SMILES notation for 5-acetamido-3-amino-2-hydroxybenzoic acid?
The canonical SMILES for 5-acetamido-3-amino-2-hydroxybenzoic acid is CC(=O)Nc1cc(N)c(O)c(C(=O)O)c1.
What is the InChIKey of 5-acetamido-3-amino-2-hydroxybenzoic acid?
The InChIKey is XXDBXUYOJYLVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-4(12)11-5-2-6(9(14)15)8(13)7(10)3-5/h2-3,13H,10H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 5-acetamido-3-amino-2-hydroxybenzoic acid?
5-acetamido-3-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 5-acetamido-3-amino-2-hydroxybenzoic acid is sourced from PubChem (CID 154386906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).