N-hydroxy-3-methylbutanamide

C5H11NO2 — CID 13258739

IUPACN-hydroxy-3-methylbutanamide
SMILESCC(C)CC(=O)NO
InChIInChI=1S/C5H11NO2/c1-4(2)3-5(7)6-8/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyDLWIAAUWQGZUQO-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.54
Rot. Bonds2

About N-hydroxy-3-methylbutanamide

N-hydroxy-3-methylbutanamide (PubChem CID 13258739) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is N-hydroxy-3-methylbutanamide.

Molecular Properties

Compound NameN-hydroxy-3-methylbutanamide
PubChem CID13258739
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC NameN-hydroxy-3-methylbutanamide
SMILESCC(C)CC(=O)NO
InChIInChI=1S/C5H11NO2/c1-4(2)3-5(7)6-8/h4,8H,3H2,1-2H3,(H,6,7)
InChIKeyDLWIAAUWQGZUQO-UHFFFAOYSA-N
XLogP0.54
TPSA49.33 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 ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-iodo-3-methylbutanamide
CID 135276105
3-methyl-N-(pentan-3-ylideneamino)butanamide
CID 4113176
3-methylbutanoylchloranium
CID 143335257
3-methyl-N-[(2S)-3-oxobutan-2-yl]butanamide
CID 90264855
3-methyl-N-[6-(3-methylbutanoylamino)hexyl]butanamide
CID 3609868
N-[(2S)-butan-2-yl]-3-methylbutanamide
CID 38989280
2-hydroxyimino-4-methyl-N-(3-methylbutanoyl)pentanamide
CID 163064055
N-(cyanomethyl)-3-methylbutanamide
CID 4630751
(2S)-2-[[4-(hydroxyamino)-2-methyl-4-oxobutanoyl]amino]propanoic acid
CID 54252173
3-methyl-N-(4-methylpentan-2-yloxy)butanamide
CID 143833988
N'-(2-chloropropanoyl)-3-methylbutanehydrazide
CID 54592767
3-methyl-N-(methylcarbamothioyl)butanamide
CID 24847571

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methylbutanamide?
The IUPAC name of N-hydroxy-3-methylbutanamide (CID 13258739) is N-hydroxy-3-methylbutanamide.
What is the SMILES notation for N-hydroxy-3-methylbutanamide?
The canonical SMILES for N-hydroxy-3-methylbutanamide is CC(C)CC(=O)NO.
What is the InChIKey of N-hydroxy-3-methylbutanamide?
The InChIKey is DLWIAAUWQGZUQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(2)3-5(7)6-8/h4,8H,3H2,1-2H3,(H,6,7).
What are the key properties of N-hydroxy-3-methylbutanamide?
N-hydroxy-3-methylbutanamide has a molecular weight of 117.15 g/mol, XLogP of 0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methylbutanamide is sourced from PubChem (CID 13258739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).