4,4-dihydroxybutanamide

C4H9NO3 — CID 20522515

IUPAC4,4-dihydroxybutanamide
SMILESNC(=O)CCC(O)O
InChIInChI=1S/C4H9NO3/c5-3(6)1-2-4(7)8/h4,7-8H,1-2H2,(H2,5,6)
InChIKeyDAFOZSWKZSQPAM-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.44
Rot. Bonds3

About 4,4-dihydroxybutanamide

4,4-dihydroxybutanamide (PubChem CID 20522515) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 4,4-dihydroxybutanamide.

Molecular Properties

Compound Name4,4-dihydroxybutanamide
PubChem CID20522515
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name4,4-dihydroxybutanamide
SMILESNC(=O)CCC(O)O
InChIInChI=1S/C4H9NO3/c5-3(6)1-2-4(7)8/h4,7-8H,1-2H2,(H2,5,6)
InChIKeyDAFOZSWKZSQPAM-UHFFFAOYSA-N
XLogP-1.44
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 ≤ 5-1.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,4-dihydroxybutanamide?
The IUPAC name of 4,4-dihydroxybutanamide (CID 20522515) is 4,4-dihydroxybutanamide.
What is the SMILES notation for 4,4-dihydroxybutanamide?
The canonical SMILES for 4,4-dihydroxybutanamide is NC(=O)CCC(O)O.
What is the InChIKey of 4,4-dihydroxybutanamide?
The InChIKey is DAFOZSWKZSQPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c5-3(6)1-2-4(7)8/h4,7-8H,1-2H2,(H2,5,6).
What are the key properties of 4,4-dihydroxybutanamide?
4,4-dihydroxybutanamide has a molecular weight of 119.12 g/mol, XLogP of -1.44, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dihydroxybutanamide is sourced from PubChem (CID 20522515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).