5-amino-4-methyl-3-oxohexanamide

C7H14N2O2 — CID 123318073

IUPAC5-amino-4-methyl-3-oxohexanamide
SMILESCC(N)C(C)C(=O)CC(N)=O
InChIInChI=1S/C7H14N2O2/c1-4(5(2)8)6(10)3-7(9)11/h4-5H,3,8H2,1-2H3,(H2,9,11)
InChIKeyGCCLCRHHGYBUTE-UHFFFAOYSA-N
MW158.20 g/mol
LogP-0.59
Rot. Bonds4

About 5-amino-4-methyl-3-oxohexanamide

5-amino-4-methyl-3-oxohexanamide (PubChem CID 123318073) has the molecular formula C7H14N2O2 and a molecular weight of 158.20 g/mol. Its IUPAC name is 5-amino-4-methyl-3-oxohexanamide.

Molecular Properties

Compound Name5-amino-4-methyl-3-oxohexanamide
PubChem CID123318073
Molecular FormulaC7H14N2O2
Molecular Weight158.20 g/mol
Exact Mass158.11
IUPAC Name5-amino-4-methyl-3-oxohexanamide
SMILESCC(N)C(C)C(=O)CC(N)=O
InChIInChI=1S/C7H14N2O2/c1-4(5(2)8)6(10)3-7(9)11/h4-5H,3,8H2,1-2H3,(H2,9,11)
InChIKeyGCCLCRHHGYBUTE-UHFFFAOYSA-N
XLogP-0.59
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.20
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-3-oxohexanamide?
The IUPAC name of 5-amino-4-methyl-3-oxohexanamide (CID 123318073) is 5-amino-4-methyl-3-oxohexanamide.
What is the SMILES notation for 5-amino-4-methyl-3-oxohexanamide?
The canonical SMILES for 5-amino-4-methyl-3-oxohexanamide is CC(N)C(C)C(=O)CC(N)=O.
What is the InChIKey of 5-amino-4-methyl-3-oxohexanamide?
The InChIKey is GCCLCRHHGYBUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2O2/c1-4(5(2)8)6(10)3-7(9)11/h4-5H,3,8H2,1-2H3,(H2,9,11).
What are the key properties of 5-amino-4-methyl-3-oxohexanamide?
5-amino-4-methyl-3-oxohexanamide has a molecular weight of 158.20 g/mol, XLogP of -0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-3-oxohexanamide is sourced from PubChem (CID 123318073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).