3-hydroxy-N,3-dimethylbutanamide

C6H13NO2 — CID 55286578

IUPAC3-hydroxy-N,3-dimethylbutanamide
SMILESCNC(=O)CC(C)(C)O
InChIInChI=1S/C6H13NO2/c1-6(2,9)4-5(8)7-3/h9H,4H2,1-3H3,(H,7,8)
InChIKeyCMICZBCIJOGIQA-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.11
Rot. Bonds2

About 3-hydroxy-N,3-dimethylbutanamide

3-hydroxy-N,3-dimethylbutanamide (PubChem CID 55286578) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-hydroxy-N,3-dimethylbutanamide.

Molecular Properties

Compound Name3-hydroxy-N,3-dimethylbutanamide
PubChem CID55286578
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-hydroxy-N,3-dimethylbutanamide
SMILESCNC(=O)CC(C)(C)O
InChIInChI=1S/C6H13NO2/c1-6(2,9)4-5(8)7-3/h9H,4H2,1-3H3,(H,7,8)
InChIKeyCMICZBCIJOGIQA-UHFFFAOYSA-N
XLogP-0.11
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N,3-dimethylbutanamide?
The IUPAC name of 3-hydroxy-N,3-dimethylbutanamide (CID 55286578) is 3-hydroxy-N,3-dimethylbutanamide.
What is the SMILES notation for 3-hydroxy-N,3-dimethylbutanamide?
The canonical SMILES for 3-hydroxy-N,3-dimethylbutanamide is CNC(=O)CC(C)(C)O.
What is the InChIKey of 3-hydroxy-N,3-dimethylbutanamide?
The InChIKey is CMICZBCIJOGIQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,9)4-5(8)7-3/h9H,4H2,1-3H3,(H,7,8).
What are the key properties of 3-hydroxy-N,3-dimethylbutanamide?
3-hydroxy-N,3-dimethylbutanamide has a molecular weight of 131.17 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N,3-dimethylbutanamide is sourced from PubChem (CID 55286578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).