3-hydroxy-2-iodobutanamide

C4H8INO2 — CID 163523876

IUPAC3-hydroxy-2-iodobutanamide
SMILESCC(O)C(I)C(N)=O
InChIInChI=1S/C4H8INO2/c1-2(7)3(5)4(6)8/h2-3,7H,1H3,(H2,6,8)
InChIKeyDNBZGBCTIPYGDJ-UHFFFAOYSA-N
MW229.02 g/mol
LogP-0.34
Rot. Bonds2

About 3-hydroxy-2-iodobutanamide

3-hydroxy-2-iodobutanamide (PubChem CID 163523876) has the molecular formula C4H8INO2 and a molecular weight of 229.02 g/mol. Its IUPAC name is 3-hydroxy-2-iodobutanamide.

Molecular Properties

Compound Name3-hydroxy-2-iodobutanamide
PubChem CID163523876
Molecular FormulaC4H8INO2
Molecular Weight229.02 g/mol
Exact Mass228.96
IUPAC Name3-hydroxy-2-iodobutanamide
SMILESCC(O)C(I)C(N)=O
InChIInChI=1S/C4H8INO2/c1-2(7)3(5)4(6)8/h2-3,7H,1H3,(H2,6,8)
InChIKeyDNBZGBCTIPYGDJ-UHFFFAOYSA-N
XLogP-0.34
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.02
LogP ≤ 5-0.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(3R)-3-hydroxy-2-methylbutanamide
CID 134245367
(2R,3S)-2-amino-3-hydroxybutanamide
CID 22877840
(2S,3R)-3-hydroxy-2-(iodoamino)butanamide
CID 89200284
dimethylphosphane;2-hydroxypropanamide
CID 174842276
2-fluoro-3-hydroxybutanamide
CID 152681723
2,3-dimethylbutanediamide
CID 55281411
carbamic acid;ethane-1,1-diol
CID 175516501
butane;2-hydroxypropanamide
CID 87347972
3-hydroxy-4-methyl-2-oxopentanamide
CID 141452509
2-methylpropanamide;bis(propan-2-one)
CID 174404145
2-aminopropanamide;dihydrochloride
CID 19963402
(2S)-2-fluoropropanamide
CID 129374964

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-iodobutanamide?
The IUPAC name of 3-hydroxy-2-iodobutanamide (CID 163523876) is 3-hydroxy-2-iodobutanamide.
What is the SMILES notation for 3-hydroxy-2-iodobutanamide?
The canonical SMILES for 3-hydroxy-2-iodobutanamide is CC(O)C(I)C(N)=O.
What is the InChIKey of 3-hydroxy-2-iodobutanamide?
The InChIKey is DNBZGBCTIPYGDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8INO2/c1-2(7)3(5)4(6)8/h2-3,7H,1H3,(H2,6,8).
What are the key properties of 3-hydroxy-2-iodobutanamide?
3-hydroxy-2-iodobutanamide has a molecular weight of 229.02 g/mol, XLogP of -0.34, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-iodobutanamide is sourced from PubChem (CID 163523876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).