5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid

C8H15NO4 — CID 64974120

IUPAC5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCONC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C8H15NO4/c1-8(2,5-7(11)12)4-6(10)9-13-3/h4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyRFBLCWCGHGKKPX-UHFFFAOYSA-N
MW189.21 g/mol
LogP0.56
Rot. Bonds5

About 5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid

5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid (PubChem CID 64974120) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid
PubChem CID64974120
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid
SMILESCONC(=O)CC(C)(C)CC(=O)O
InChIInChI=1S/C8H15NO4/c1-8(2,5-7(11)12)4-6(10)9-13-3/h4-5H2,1-3H3,(H,9,10)(H,11,12)
InChIKeyRFBLCWCGHGKKPX-UHFFFAOYSA-N
XLogP0.56
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 50.56
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)-3,3-dimethyl-5-oxopentanoic acid?
The IUPAC name of 5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid (CID 64974120) is 5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid.
What is the SMILES notation for 5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The canonical SMILES for 5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid is CONC(=O)CC(C)(C)CC(=O)O.
What is the InChIKey of 5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid?
The InChIKey is RFBLCWCGHGKKPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(2,5-7(11)12)4-6(10)9-13-3/h4-5H2,1-3H3,(H,9,10)(H,11,12).
What are the key properties of 5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid?
5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid has a molecular weight of 189.21 g/mol, XLogP of 0.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxyamino)-3,3-dimethyl-5-oxopentanoic acid is sourced from PubChem (CID 64974120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).