3-(dihydroxyamino)-5-(hydroxymethyl)benzamide

C8H10N2O4 — CID 89337174

IUPAC3-(dihydroxyamino)-5-(hydroxymethyl)benzamide
SMILESNC(=O)c1cc(CO)cc(N(O)O)c1
InChIInChI=1S/C8H10N2O4/c9-8(12)6-1-5(4-11)2-7(3-6)10(13)14/h1-3,11,13-14H,4H2,(H2,9,12)
InChIKeyAJWHARUCVOKIBV-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.14
Rot. Bonds3

About 3-(dihydroxyamino)-5-(hydroxymethyl)benzamide

3-(dihydroxyamino)-5-(hydroxymethyl)benzamide (PubChem CID 89337174) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(dihydroxyamino)-5-(hydroxymethyl)benzamide.

Molecular Properties

Compound Name3-(dihydroxyamino)-5-(hydroxymethyl)benzamide
PubChem CID89337174
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name3-(dihydroxyamino)-5-(hydroxymethyl)benzamide
SMILESNC(=O)c1cc(CO)cc(N(O)O)c1
InChIInChI=1S/C8H10N2O4/c9-8(12)6-1-5(4-11)2-7(3-6)10(13)14/h1-3,11,13-14H,4H2,(H2,9,12)
InChIKeyAJWHARUCVOKIBV-UHFFFAOYSA-N
XLogP-0.14
TPSA107.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(dihydroxyamino)-5-(hydroxymethyl)benzamide?
The IUPAC name of 3-(dihydroxyamino)-5-(hydroxymethyl)benzamide (CID 89337174) is 3-(dihydroxyamino)-5-(hydroxymethyl)benzamide.
What is the SMILES notation for 3-(dihydroxyamino)-5-(hydroxymethyl)benzamide?
The canonical SMILES for 3-(dihydroxyamino)-5-(hydroxymethyl)benzamide is NC(=O)c1cc(CO)cc(N(O)O)c1.
What is the InChIKey of 3-(dihydroxyamino)-5-(hydroxymethyl)benzamide?
The InChIKey is AJWHARUCVOKIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c9-8(12)6-1-5(4-11)2-7(3-6)10(13)14/h1-3,11,13-14H,4H2,(H2,9,12).
What are the key properties of 3-(dihydroxyamino)-5-(hydroxymethyl)benzamide?
3-(dihydroxyamino)-5-(hydroxymethyl)benzamide has a molecular weight of 198.18 g/mol, XLogP of -0.14, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dihydroxyamino)-5-(hydroxymethyl)benzamide is sourced from PubChem (CID 89337174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).