3-hydroxy-4-methylpentanamide

C6H13NO2 — CID 126994383

IUPAC3-hydroxy-4-methylpentanamide
SMILESCC(C)C(O)CC(N)=O
InChIInChI=1S/C6H13NO2/c1-4(2)5(8)3-6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9)
InChIKeyULZAPNSYNGRRTC-UHFFFAOYSA-N
MW131.17 g/mol
LogP-0.12
Rot. Bonds3

About 3-hydroxy-4-methylpentanamide

3-hydroxy-4-methylpentanamide (PubChem CID 126994383) has the molecular formula C6H13NO2 and a molecular weight of 131.17 g/mol. Its IUPAC name is 3-hydroxy-4-methylpentanamide.

Molecular Properties

Compound Name3-hydroxy-4-methylpentanamide
PubChem CID126994383
Molecular FormulaC6H13NO2
Molecular Weight131.17 g/mol
Exact Mass131.09
IUPAC Name3-hydroxy-4-methylpentanamide
SMILESCC(C)C(O)CC(N)=O
InChIInChI=1S/C6H13NO2/c1-4(2)5(8)3-6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9)
InChIKeyULZAPNSYNGRRTC-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 3-hydroxy-4-methylpentanamide?
The IUPAC name of 3-hydroxy-4-methylpentanamide (CID 126994383) is 3-hydroxy-4-methylpentanamide.
What is the SMILES notation for 3-hydroxy-4-methylpentanamide?
The canonical SMILES for 3-hydroxy-4-methylpentanamide is CC(C)C(O)CC(N)=O.
What is the InChIKey of 3-hydroxy-4-methylpentanamide?
The InChIKey is ULZAPNSYNGRRTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2/c1-4(2)5(8)3-6(7)9/h4-5,8H,3H2,1-2H3,(H2,7,9).
What are the key properties of 3-hydroxy-4-methylpentanamide?
3-hydroxy-4-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 3-hydroxy-4-methylpentanamide is sourced from PubChem (CID 126994383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).