2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate

C14H10N2O8-2 — CID 163148912

IUPAC2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate
SMILESO=C([O-])c1cccc(N(O)O)c1-c1c(C(=O)[O-])cccc1N(O)O
InChIInChI=1S/C14H12N2O8/c17-13(18)7-3-1-5-9(15(21)22)11(7)12-8(14(19)20)4-2-6-10(12)16(23)24/h1-6,21-24H,(H,17,18)(H,19,20)/p-2
InChIKeyIXGXGJFWFPSQBK-UHFFFAOYSA-L
MW334.24 g/mol
LogP-0.75
Rot. Bonds5

About 2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate

2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate (PubChem CID 163148912) has the molecular formula C14H10N2O8-2 and a molecular weight of 334.24 g/mol. Its IUPAC name is 2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate.

Molecular Properties

Compound Name2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate
PubChem CID163148912
Molecular FormulaC14H10N2O8-2
Molecular Weight334.24 g/mol
Exact Mass334.04
IUPAC Name2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate
SMILESO=C([O-])c1cccc(N(O)O)c1-c1c(C(=O)[O-])cccc1N(O)O
InChIInChI=1S/C14H12N2O8/c17-13(18)7-3-1-5-9(15(21)22)11(7)12-8(14(19)20)4-2-6-10(12)16(23)24/h1-6,21-24H,(H,17,18)(H,19,20)/p-2
InChIKeyIXGXGJFWFPSQBK-UHFFFAOYSA-L
XLogP-0.75
TPSA167.66 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.24
LogP ≤ 5-0.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(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-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate?
The IUPAC name of 2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate (CID 163148912) is 2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate.
What is the SMILES notation for 2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate?
The canonical SMILES for 2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate is O=C([O-])c1cccc(N(O)O)c1-c1c(C(=O)[O-])cccc1N(O)O.
What is the InChIKey of 2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate?
The InChIKey is IXGXGJFWFPSQBK-UHFFFAOYSA-L. The full InChI is InChI=1S/C14H12N2O8/c17-13(18)7-3-1-5-9(15(21)22)11(7)12-8(14(19)20)4-2-6-10(12)16(23)24/h1-6,21-24H,(H,17,18)(H,19,20)/p-2.
What are the key properties of 2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate?
2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate has a molecular weight of 334.24 g/mol, XLogP of -0.75, 5 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-carboxylato-6-(dihydroxyamino)phenyl]-3-(dihydroxyamino)benzoate is sourced from PubChem (CID 163148912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).