2,4-dihydroxybutanamide

C4H9NO3 — CID 18386929

IUPAC2,4-dihydroxybutanamide
SMILESNC(=O)C(O)CCO
InChIInChI=1S/C4H9NO3/c5-4(8)3(7)1-2-6/h3,6-7H,1-2H2,(H2,5,8)
InChIKeyFVLOHZJVLFKDNU-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.78
Rot. Bonds3

About 2,4-dihydroxybutanamide

2,4-dihydroxybutanamide (PubChem CID 18386929) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2,4-dihydroxybutanamide.

Molecular Properties

Compound Name2,4-dihydroxybutanamide
PubChem CID18386929
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2,4-dihydroxybutanamide
SMILESNC(=O)C(O)CCO
InChIInChI=1S/C4H9NO3/c5-4(8)3(7)1-2-6/h3,6-7H,1-2H2,(H2,5,8)
InChIKeyFVLOHZJVLFKDNU-UHFFFAOYSA-N
XLogP-1.78
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.12
LogP ≤ 5-1.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2,4-dihydroxybutanamide 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 2,4-dihydroxybutanamide?
The IUPAC name of 2,4-dihydroxybutanamide (CID 18386929) is 2,4-dihydroxybutanamide.
What is the SMILES notation for 2,4-dihydroxybutanamide?
The canonical SMILES for 2,4-dihydroxybutanamide is NC(=O)C(O)CCO.
What is the InChIKey of 2,4-dihydroxybutanamide?
The InChIKey is FVLOHZJVLFKDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c5-4(8)3(7)1-2-6/h3,6-7H,1-2H2,(H2,5,8).
What are the key properties of 2,4-dihydroxybutanamide?
2,4-dihydroxybutanamide has a molecular weight of 119.12 g/mol, XLogP of -1.78, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dihydroxybutanamide is sourced from PubChem (CID 18386929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).