4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid

C8H9N3O4 — CID 175345748

IUPAC4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid
SMILESNNNc1ccc(C(=O)O)cc1C(=O)O
InChIInChI=1S/C8H9N3O4/c9-11-10-6-2-1-4(7(12)13)3-5(6)8(14)15/h1-3,10-11H,9H2,(H,12,13)(H,14,15)
InChIKeyVKYDXIGLOJOHBZ-UHFFFAOYSA-N
MW211.18 g/mol
LogP-0.13
Rot. Bonds4

About 4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid

4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid (PubChem CID 175345748) has the molecular formula C8H9N3O4 and a molecular weight of 211.18 g/mol. Its IUPAC name is 4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid.

Molecular Properties

Compound Name4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid
PubChem CID175345748
Molecular FormulaC8H9N3O4
Molecular Weight211.18 g/mol
Exact Mass211.06
IUPAC Name4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid
SMILESNNNc1ccc(C(=O)O)cc1C(=O)O
InChIInChI=1S/C8H9N3O4/c9-11-10-6-2-1-4(7(12)13)3-5(6)8(14)15/h1-3,10-11H,9H2,(H,12,13)(H,14,15)
InChIKeyVKYDXIGLOJOHBZ-UHFFFAOYSA-N
XLogP-0.13
TPSA124.68 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.18
LogP ≤ 5-0.13
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid?
The IUPAC name of 4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid (CID 175345748) is 4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid.
What is the SMILES notation for 4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid?
The canonical SMILES for 4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid is NNNc1ccc(C(=O)O)cc1C(=O)O.
What is the InChIKey of 4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid?
The InChIKey is VKYDXIGLOJOHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3O4/c9-11-10-6-2-1-4(7(12)13)3-5(6)8(14)15/h1-3,10-11H,9H2,(H,12,13)(H,14,15).
What are the key properties of 4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid?
4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid has a molecular weight of 211.18 g/mol, XLogP of -0.13, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminohydrazinyl)benzene-1,3-dicarboxylic acid is sourced from PubChem (CID 175345748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).