2-hydroxy-3-methylbutanamide

C5H11NO2 — CID 12768404

IUPAC2-hydroxy-3-methylbutanamide
SMILESCC(C)C(O)C(N)=O
InChIInChI=1S/C5H11NO2/c1-3(2)4(7)5(6)8/h3-4,7H,1-2H3,(H2,6,8)
InChIKeyWQPHBKCACJYXGG-UHFFFAOYSA-N
MW117.15 g/mol
LogP-0.51
Rot. Bonds2

About 2-hydroxy-3-methylbutanamide

2-hydroxy-3-methylbutanamide (PubChem CID 12768404) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 2-hydroxy-3-methylbutanamide.

Molecular Properties

Compound Name2-hydroxy-3-methylbutanamide
PubChem CID12768404
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name2-hydroxy-3-methylbutanamide
SMILESCC(C)C(O)C(N)=O
InChIInChI=1S/C5H11NO2/c1-3(2)4(7)5(6)8/h3-4,7H,1-2H3,(H2,6,8)
InChIKeyWQPHBKCACJYXGG-UHFFFAOYSA-N
XLogP-0.51
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methylbutanamide?
The IUPAC name of 2-hydroxy-3-methylbutanamide (CID 12768404) is 2-hydroxy-3-methylbutanamide.
What is the SMILES notation for 2-hydroxy-3-methylbutanamide?
The canonical SMILES for 2-hydroxy-3-methylbutanamide is CC(C)C(O)C(N)=O.
What is the InChIKey of 2-hydroxy-3-methylbutanamide?
The InChIKey is WQPHBKCACJYXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-3(2)4(7)5(6)8/h3-4,7H,1-2H3,(H2,6,8).
What are the key properties of 2-hydroxy-3-methylbutanamide?
2-hydroxy-3-methylbutanamide has a molecular weight of 117.15 g/mol, XLogP of -0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methylbutanamide is sourced from PubChem (CID 12768404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).