4-hydroxy-3-methylpentanamide

C6H13NO2 — CID 21402958

IUPAC4-hydroxy-3-methylpentanamide
SMILESCC(O)C(C)CC(N)=O
InChIInChI=1S/C6H13NO2/c1-4(5(2)8)3-6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9)
InChIKeyHJKDMLZDUFWZQX-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.12
Rot. Bonds3

About 4-hydroxy-3-methylpentanamide

4-hydroxy-3-methylpentanamide (PubChem CID 21402958) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 4-hydroxy-3-methylpentanamide.

Molecular Properties

Compound Name4-hydroxy-3-methylpentanamide
PubChem CID21402958
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name4-hydroxy-3-methylpentanamide
SMILESCC(O)C(C)CC(N)=O
InChIInChI=1S/C6H13NO2/c1-4(5(2)8)3-6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9)
InChIKeyHJKDMLZDUFWZQX-UHFFFAOYSA-N
XLogP-0.12
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.17
LogP ≤ 5-0.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methylpentanamide?
The IUPAC name of 4-hydroxy-3-methylpentanamide (CID 21402958) is 4-hydroxy-3-methylpentanamide.
What is the SMILES notation for 4-hydroxy-3-methylpentanamide?
The canonical SMILES for 4-hydroxy-3-methylpentanamide is CC(O)C(C)CC(N)=O.
What is the InChIKey of 4-hydroxy-3-methylpentanamide?
The InChIKey is HJKDMLZDUFWZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(5(2)8)3-6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9).
What are the key properties of 4-hydroxy-3-methylpentanamide?
4-hydroxy-3-methylpentanamide has a molecular weight of 131.17 g/mol, XLogP of -0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methylpentanamide is sourced from PubChem (CID 21402958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).