3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid

C10H19NO4 — CID 82720367

IUPAC3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NOC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(6-9(13)14)5-8(12)11-15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyWARIFCJKYAVOSN-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.33
Rot. Bonds5

About 3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid

3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid (PubChem CID 82720367) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is 3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid
PubChem CID82720367
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid
SMILESCC(CC(=O)O)CC(=O)NOC(C)(C)C
InChIInChI=1S/C10H19NO4/c1-7(6-9(13)14)5-8(12)11-15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14)
InChIKeyWARIFCJKYAVOSN-UHFFFAOYSA-N
XLogP1.33
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.33
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 3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid?
The IUPAC name of 3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid (CID 82720367) is 3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid.
What is the SMILES notation for 3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid?
The canonical SMILES for 3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid is CC(CC(=O)O)CC(=O)NOC(C)(C)C.
What is the InChIKey of 3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid?
The InChIKey is WARIFCJKYAVOSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-7(6-9(13)14)5-8(12)11-15-10(2,3)4/h7H,5-6H2,1-4H3,(H,11,12)(H,13,14).
What are the key properties of 3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid?
3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid has a molecular weight of 217.26 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid is sourced from PubChem (CID 82720367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).