2,2-dihydroxybutanamide

C4H9NO3 — CID 22465138

IUPAC2,2-dihydroxybutanamide
SMILESCCC(O)(O)C(N)=O
InChIInChI=1S/C4H9NO3/c1-2-4(7,8)3(5)6/h7-8H,2H2,1H3,(H2,5,6)
InChIKeyYFIKCGAYKHZRBO-UHFFFAOYSA-N
MW119.12 g/mol
LogP-1.44
Rot. Bonds2

About 2,2-dihydroxybutanamide

2,2-dihydroxybutanamide (PubChem CID 22465138) has the molecular formula C4H9NO3 and a molecular weight of 119.12 g/mol. Its IUPAC name is 2,2-dihydroxybutanamide.

Molecular Properties

Compound Name2,2-dihydroxybutanamide
PubChem CID22465138
Molecular FormulaC4H9NO3
Molecular Weight119.12 g/mol
Exact Mass119.06
IUPAC Name2,2-dihydroxybutanamide
SMILESCCC(O)(O)C(N)=O
InChIInChI=1S/C4H9NO3/c1-2-4(7,8)3(5)6/h7-8H,2H2,1H3,(H2,5,6)
InChIKeyYFIKCGAYKHZRBO-UHFFFAOYSA-N
XLogP-1.44
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
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'}

Analyze 2,2-dihydroxybutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-2-ethylbutanamide;ethane
CID 176999268
2-(15N)azanyl-2-methylbutanamide
CID 10844374
carbamic acid;formaldehyde;propane-1,1,1-triol
CID 173133385
(2S)-2-ethyl-2-hydroxy-4-methylpentanamide
CID 175974916
2-ethyl-2-hydroxyhexanamide
CID 18943167
2-ethoxy-2-hydroxypropanediamide
CID 45122517
2-ethyl-2-propylpentanamide
CID 10352144
2-cyclopropyl-2-hydroxybutanamide;hydrochloride
CID 68852332
2-cyano-2-ethylbutanamide
CID 29227
2-(bromomethyl)-3,3,3-trifluoro-2-hydroxypropanamide
CID 90424362
2-ethyl-2-methylpentanamide
CID 22376566
2-ethyl-2-(ethylamino)butanamide
CID 60786562

Frequently Asked Questions

What is the IUPAC name of 2,2-dihydroxybutanamide?
The IUPAC name of 2,2-dihydroxybutanamide (CID 22465138) is 2,2-dihydroxybutanamide.
What is the SMILES notation for 2,2-dihydroxybutanamide?
The canonical SMILES for 2,2-dihydroxybutanamide is CCC(O)(O)C(N)=O.
What is the InChIKey of 2,2-dihydroxybutanamide?
The InChIKey is YFIKCGAYKHZRBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO3/c1-2-4(7,8)3(5)6/h7-8H,2H2,1H3,(H2,5,6).
What are the key properties of 2,2-dihydroxybutanamide?
2,2-dihydroxybutanamide has a molecular weight of 119.12 g/mol, XLogP of -1.44, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dihydroxybutanamide is sourced from PubChem (CID 22465138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).