2-amino-4-(dihydroxyamino)benzoate

C7H7N2O4- — CID 163163035

IUPAC2-amino-4-(dihydroxyamino)benzoate
SMILESNc1cc(N(O)O)ccc1C(=O)[O-]
InChIInChI=1S/C7H8N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3,12-13H,8H2,(H,10,11)/p-1
InChIKeyHOWGWPPCFHIEMN-UHFFFAOYSA-M
MW183.14 g/mol
LogP-0.78
Rot. Bonds2

About 2-amino-4-(dihydroxyamino)benzoate

2-amino-4-(dihydroxyamino)benzoate (PubChem CID 163163035) has the molecular formula C7H7N2O4- and a molecular weight of 183.14 g/mol. Its IUPAC name is 2-amino-4-(dihydroxyamino)benzoate.

Molecular Properties

Compound Name2-amino-4-(dihydroxyamino)benzoate
PubChem CID163163035
Molecular FormulaC7H7N2O4-
Molecular Weight183.14 g/mol
Exact Mass183.04
IUPAC Name2-amino-4-(dihydroxyamino)benzoate
SMILESNc1cc(N(O)O)ccc1C(=O)[O-]
InChIInChI=1S/C7H8N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3,12-13H,8H2,(H,10,11)/p-1
InChIKeyHOWGWPPCFHIEMN-UHFFFAOYSA-M
XLogP-0.78
TPSA109.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.14
LogP ≤ 5-0.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-amino-4-(dihydroxyamino)benzoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(dihydroxyamino)benzoate?
The IUPAC name of 2-amino-4-(dihydroxyamino)benzoate (CID 163163035) is 2-amino-4-(dihydroxyamino)benzoate.
What is the SMILES notation for 2-amino-4-(dihydroxyamino)benzoate?
The canonical SMILES for 2-amino-4-(dihydroxyamino)benzoate is Nc1cc(N(O)O)ccc1C(=O)[O-].
What is the InChIKey of 2-amino-4-(dihydroxyamino)benzoate?
The InChIKey is HOWGWPPCFHIEMN-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H8N2O4/c8-6-3-4(9(12)13)1-2-5(6)7(10)11/h1-3,12-13H,8H2,(H,10,11)/p-1.
What are the key properties of 2-amino-4-(dihydroxyamino)benzoate?
2-amino-4-(dihydroxyamino)benzoate has a molecular weight of 183.14 g/mol, XLogP of -0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(dihydroxyamino)benzoate is sourced from PubChem (CID 163163035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).