2-(3,5,5-trimethylhexanoylamino)oxyacetic acid

C11H21NO4 — CID 63912304

IUPAC2-(3,5,5-trimethylhexanoylamino)oxyacetic acid
SMILESCC(CC(=O)NOCC(=O)O)CC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(6-11(2,3)4)5-9(13)12-16-7-10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyWHRAAMVHIPDKLU-UHFFFAOYSA-N
MW231.29 g/mol
LogP1.58
Rot. Bonds6

About 2-(3,5,5-trimethylhexanoylamino)oxyacetic acid

2-(3,5,5-trimethylhexanoylamino)oxyacetic acid (PubChem CID 63912304) has the molecular formula C11H21NO4 and a molecular weight of 231.29 g/mol. Its IUPAC name is 2-(3,5,5-trimethylhexanoylamino)oxyacetic acid.

Molecular Properties

Compound Name2-(3,5,5-trimethylhexanoylamino)oxyacetic acid
PubChem CID63912304
Molecular FormulaC11H21NO4
Molecular Weight231.29 g/mol
Exact Mass231.15
IUPAC Name2-(3,5,5-trimethylhexanoylamino)oxyacetic acid
SMILESCC(CC(=O)NOCC(=O)O)CC(C)(C)C
InChIInChI=1S/C11H21NO4/c1-8(6-11(2,3)4)5-9(13)12-16-7-10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15)
InChIKeyWHRAAMVHIPDKLU-UHFFFAOYSA-N
XLogP1.58
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 51.58
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 2-(3,5,5-trimethylhexanoylamino)oxyacetic acid?
The IUPAC name of 2-(3,5,5-trimethylhexanoylamino)oxyacetic acid (CID 63912304) is 2-(3,5,5-trimethylhexanoylamino)oxyacetic acid.
What is the SMILES notation for 2-(3,5,5-trimethylhexanoylamino)oxyacetic acid?
The canonical SMILES for 2-(3,5,5-trimethylhexanoylamino)oxyacetic acid is CC(CC(=O)NOCC(=O)O)CC(C)(C)C.
What is the InChIKey of 2-(3,5,5-trimethylhexanoylamino)oxyacetic acid?
The InChIKey is WHRAAMVHIPDKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO4/c1-8(6-11(2,3)4)5-9(13)12-16-7-10(14)15/h8H,5-7H2,1-4H3,(H,12,13)(H,14,15).
What are the key properties of 2-(3,5,5-trimethylhexanoylamino)oxyacetic acid?
2-(3,5,5-trimethylhexanoylamino)oxyacetic acid has a molecular weight of 231.29 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5,5-trimethylhexanoylamino)oxyacetic acid is sourced from PubChem (CID 63912304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).