3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide

C9H13N3O3 — CID 171867840

IUPAC3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide
SMILESNNc1cccc(C(O)C(O)C(N)=O)c1
InChIInChI=1S/C9H13N3O3/c10-9(15)8(14)7(13)5-2-1-3-6(4-5)12-11/h1-4,7-8,12-14H,11H2,(H2,10,15)
InChIKeyCABQXCNIJGIKPW-UHFFFAOYSA-N
MW211.22 g/mol
LogP-1.15
Rot. Bonds4

About 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide

3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide (PubChem CID 171867840) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide.

Molecular Properties

Compound Name3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide
PubChem CID171867840
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide
SMILESNNc1cccc(C(O)C(O)C(N)=O)c1
InChIInChI=1S/C9H13N3O3/c10-9(15)8(14)7(13)5-2-1-3-6(4-5)12-11/h1-4,7-8,12-14H,11H2,(H2,10,15)
InChIKeyCABQXCNIJGIKPW-UHFFFAOYSA-N
XLogP-1.15
TPSA121.60 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-1.15
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'}

Analyze 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide 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 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide?
The IUPAC name of 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide (CID 171867840) is 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide.
What is the SMILES notation for 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide?
The canonical SMILES for 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide is NNc1cccc(C(O)C(O)C(N)=O)c1.
What is the InChIKey of 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide?
The InChIKey is CABQXCNIJGIKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c10-9(15)8(14)7(13)5-2-1-3-6(4-5)12-11/h1-4,7-8,12-14H,11H2,(H2,10,15).
What are the key properties of 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide?
3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide has a molecular weight of 211.22 g/mol, XLogP of -1.15, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydrazinylphenyl)-2,3-dihydroxypropanamide is sourced from PubChem (CID 171867840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).