4-acetamido-2-hydrazinylbenzoic acid

C9H11N3O3 — CID 163448849

IUPAC4-acetamido-2-hydrazinylbenzoic acid
SMILESCC(=O)Nc1ccc(C(=O)O)c(NN)c1
InChIInChI=1S/C9H11N3O3/c1-5(13)11-6-2-3-7(9(14)15)8(4-6)12-10/h2-4,12H,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyBEVLAORFVXLRSZ-UHFFFAOYSA-N
MW209.21 g/mol
LogP0.63
Rot. Bonds3

About 4-acetamido-2-hydrazinylbenzoic acid

4-acetamido-2-hydrazinylbenzoic acid (PubChem CID 163448849) has the molecular formula C9H11N3O3 and a molecular weight of 209.21 g/mol. Its IUPAC name is 4-acetamido-2-hydrazinylbenzoic acid.

Molecular Properties

Compound Name4-acetamido-2-hydrazinylbenzoic acid
PubChem CID163448849
Molecular FormulaC9H11N3O3
Molecular Weight209.21 g/mol
Exact Mass209.08
IUPAC Name4-acetamido-2-hydrazinylbenzoic acid
SMILESCC(=O)Nc1ccc(C(=O)O)c(NN)c1
InChIInChI=1S/C9H11N3O3/c1-5(13)11-6-2-3-7(9(14)15)8(4-6)12-10/h2-4,12H,10H2,1H3,(H,11,13)(H,14,15)
InChIKeyBEVLAORFVXLRSZ-UHFFFAOYSA-N
XLogP0.63
TPSA104.45 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 50.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

bis(5-acetamido-2-carboxyphenolate);lead(2+)
CID 88836547
2-hydrazinyl-4-methoxybenzoic acid;hydrochloride
CID 119031799
2-acetamido-4-hydroxybenzoic acid
CID 18452830
5-acetamido-2-[[(2S)-2-amino-3-methylbutanoyl]amino]benzoic acid
CID 61157962
5-acetamido-2-(prop-2-enoylamino)benzoic acid
CID 24696899
2,4-bis[(4-methylbenzoyl)amino]benzoic acid
CID 161042789
4-acetamido-2-(prop-1-en-2-yloxymethoxy)benzoic acid
CID 20793514
5-acetamido-2-[(2-acetamidoacetyl)amino]benzoic acid
CID 24705583
N-(4-acetyl-3-methylphenyl)acetamide
CID 2737381
3,5-diacetamido-2-bromobenzoic acid
CID 142675642
5-acetamido-2-[[(E)-2-cyanoethenyl]amino]benzoic acid
CID 135236730
5-acetamido-2-(but-3-ynoylamino)benzoic acid
CID 114028463

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-2-hydrazinylbenzoic acid?
The IUPAC name of 4-acetamido-2-hydrazinylbenzoic acid (CID 163448849) is 4-acetamido-2-hydrazinylbenzoic acid.
What is the SMILES notation for 4-acetamido-2-hydrazinylbenzoic acid?
The canonical SMILES for 4-acetamido-2-hydrazinylbenzoic acid is CC(=O)Nc1ccc(C(=O)O)c(NN)c1.
What is the InChIKey of 4-acetamido-2-hydrazinylbenzoic acid?
The InChIKey is BEVLAORFVXLRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5(13)11-6-2-3-7(9(14)15)8(4-6)12-10/h2-4,12H,10H2,1H3,(H,11,13)(H,14,15).
What are the key properties of 4-acetamido-2-hydrazinylbenzoic acid?
4-acetamido-2-hydrazinylbenzoic acid has a molecular weight of 209.21 g/mol, XLogP of 0.63, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-2-hydrazinylbenzoic acid is sourced from PubChem (CID 163448849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).