3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide

C6H13NO5 — CID 141007752

IUPAC3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide
SMILESO=C(CCOCC(O)CO)NO
InChIInChI=1S/C6H13NO5/c8-3-5(9)4-12-2-1-6(10)7-11/h5,8-9,11H,1-4H2,(H,7,10)
InChIKeyXSXQYVVNJTVUSV-UHFFFAOYSA-N
MW179.17 g/mol
LogP-1.75
Rot. Bonds6

About 3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide

3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide (PubChem CID 141007752) has the molecular formula C6H13NO5 and a molecular weight of 179.17 g/mol. Its IUPAC name is 3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide.

Molecular Properties

Compound Name3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide
PubChem CID141007752
Molecular FormulaC6H13NO5
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide
SMILESO=C(CCOCC(O)CO)NO
InChIInChI=1S/C6H13NO5/c8-3-5(9)4-12-2-1-6(10)7-11/h5,8-9,11H,1-4H2,(H,7,10)
InChIKeyXSXQYVVNJTVUSV-UHFFFAOYSA-N
XLogP-1.75
TPSA99.02 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 5-1.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide 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-(2,3-dihydroxypropoxy)-N-hydroxypropanamide?
The IUPAC name of 3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide (CID 141007752) is 3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide.
What is the SMILES notation for 3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide?
The canonical SMILES for 3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide is O=C(CCOCC(O)CO)NO.
What is the InChIKey of 3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide?
The InChIKey is XSXQYVVNJTVUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO5/c8-3-5(9)4-12-2-1-6(10)7-11/h5,8-9,11H,1-4H2,(H,7,10).
What are the key properties of 3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide?
3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide has a molecular weight of 179.17 g/mol, XLogP of -1.75, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroxypropoxy)-N-hydroxypropanamide is sourced from PubChem (CID 141007752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).