5-(methoxyamino)-3-methyl-5-oxopentanoic acid

C7H13NO4 — CID 64974176

IUPAC5-(methoxyamino)-3-methyl-5-oxopentanoic acid
SMILESCONC(=O)CC(C)CC(=O)O
InChIInChI=1S/C7H13NO4/c1-5(4-7(10)11)3-6(9)8-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyMWLCLYPUFCGWHL-UHFFFAOYSA-N
MW175.18 g/mol
LogP0.16
Rot. Bonds5

About 5-(methoxyamino)-3-methyl-5-oxopentanoic acid

5-(methoxyamino)-3-methyl-5-oxopentanoic acid (PubChem CID 64974176) has the molecular formula C7H13NO4 and a molecular weight of 175.18 g/mol. Its IUPAC name is 5-(methoxyamino)-3-methyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(methoxyamino)-3-methyl-5-oxopentanoic acid
PubChem CID64974176
Molecular FormulaC7H13NO4
Molecular Weight175.18 g/mol
Exact Mass175.08
IUPAC Name5-(methoxyamino)-3-methyl-5-oxopentanoic acid
SMILESCONC(=O)CC(C)CC(=O)O
InChIInChI=1S/C7H13NO4/c1-5(4-7(10)11)3-6(9)8-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11)
InChIKeyMWLCLYPUFCGWHL-UHFFFAOYSA-N
XLogP0.16
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.18
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxyamino)-3-methyl-5-oxopentanoic acid?
The IUPAC name of 5-(methoxyamino)-3-methyl-5-oxopentanoic acid (CID 64974176) is 5-(methoxyamino)-3-methyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(methoxyamino)-3-methyl-5-oxopentanoic acid?
The canonical SMILES for 5-(methoxyamino)-3-methyl-5-oxopentanoic acid is CONC(=O)CC(C)CC(=O)O.
What is the InChIKey of 5-(methoxyamino)-3-methyl-5-oxopentanoic acid?
The InChIKey is MWLCLYPUFCGWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO4/c1-5(4-7(10)11)3-6(9)8-12-2/h5H,3-4H2,1-2H3,(H,8,9)(H,10,11).
What are the key properties of 5-(methoxyamino)-3-methyl-5-oxopentanoic acid?
5-(methoxyamino)-3-methyl-5-oxopentanoic acid has a molecular weight of 175.18 g/mol, XLogP of 0.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxyamino)-3-methyl-5-oxopentanoic acid is sourced from PubChem (CID 64974176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).