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

C11H21NO4 — CID 82720262

IUPAC3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NOC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-12-8(13)6-11(4,5)7-9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyNSPSABNMKIDQSH-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.72
Rot. Bonds5

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

3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid (PubChem CID 82720262) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid.

Molecular Properties

Compound Name3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid
PubChem CID82720262
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid
SMILESCC(C)(CC(=O)O)CC(=O)NOC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-10(2,3)16-12-8(13)6-11(4,5)7-9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15)
InChIKeyNSPSABNMKIDQSH-UHFFFAOYSA-N
XLogP1.72
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.72
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 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid?
The IUPAC name of 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid (CID 82720262) is 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid.
What is the SMILES notation for 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid?
The canonical SMILES for 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid is CC(C)(CC(=O)O)CC(=O)NOC(C)(C)C.
What is the InChIKey of 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid?
The InChIKey is NSPSABNMKIDQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-10(2,3)16-12-8(13)6-11(4,5)7-9(14)15/h6-7H2,1-5H3,(H,12,13)(H,14,15).
What are the key properties of 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid?
3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid has a molecular weight of 231.29 g/mol, XLogP of 1.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-5-[(2-methylpropan-2-yl)oxyamino]-5-oxopentanoic acid is sourced from PubChem (CID 82720262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).