2-(aminooxymethyl)-2,4-dimethylpentanoic acid

C8H17NO3 — CID 105436137

IUPAC2-(aminooxymethyl)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(CON)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(2)4-8(3,5-12-9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyHPZFTSUHZRRYGF-UHFFFAOYSA-N
MW175.23 g/mol
LogP1.01
Rot. Bonds5

About 2-(aminooxymethyl)-2,4-dimethylpentanoic acid

2-(aminooxymethyl)-2,4-dimethylpentanoic acid (PubChem CID 105436137) has the molecular formula C8H17NO3 and a molecular weight of 175.23 g/mol. Its IUPAC name is 2-(aminooxymethyl)-2,4-dimethylpentanoic acid.

Molecular Properties

Compound Name2-(aminooxymethyl)-2,4-dimethylpentanoic acid
PubChem CID105436137
Molecular FormulaC8H17NO3
Molecular Weight175.23 g/mol
Exact Mass175.12
IUPAC Name2-(aminooxymethyl)-2,4-dimethylpentanoic acid
SMILESCC(C)CC(C)(CON)C(=O)O
InChIInChI=1S/C8H17NO3/c1-6(2)4-8(3,5-12-9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11)
InChIKeyHPZFTSUHZRRYGF-UHFFFAOYSA-N
XLogP1.01
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 51.01
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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Related Compounds

2-(aminomethyl)-2,4-dimethylpentanoic acid
CID 106487145
2-[(2,5-dimethylphenoxy)methyl]-2,4-dimethylpentanoic acid
CID 165164903
1-aminooxy-2,2,4,4,6-pentamethylheptan-3-ol
CID 126671106
2-carbamoyl-2,4-dimethylpentanoic acid
CID 114899918
2-[2-(2,2-dimethylpropoxy)-2-oxoethyl]-4-methyl-2-(2-methylpropyl)pentanoic acid
CID 174844007
2,3-diethyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 89048903
2,3-ditert-butyl-2,3-bis(2-methylpropyl)butanedioic acid
CID 118610937
2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid
CID 114991026
5-ethoxy-2-(hydroxysulfamoyloxymethyl)-2,4-dimethyl-5-oxopentanoic acid
CID 118227599
tert-butyl 2-ethyl-2,4-dimethylpentanoate
CID 90805514
3,5,5-trimethyl-3-(2-methylpropyl)hexan-2-one
CID 130306251
2-amino-2-(aminomethyl)-4-methylpentanoic acid
CID 11019164

Frequently Asked Questions

What is the IUPAC name of 2-(aminooxymethyl)-2,4-dimethylpentanoic acid?
The IUPAC name of 2-(aminooxymethyl)-2,4-dimethylpentanoic acid (CID 105436137) is 2-(aminooxymethyl)-2,4-dimethylpentanoic acid.
What is the SMILES notation for 2-(aminooxymethyl)-2,4-dimethylpentanoic acid?
The canonical SMILES for 2-(aminooxymethyl)-2,4-dimethylpentanoic acid is CC(C)CC(C)(CON)C(=O)O.
What is the InChIKey of 2-(aminooxymethyl)-2,4-dimethylpentanoic acid?
The InChIKey is HPZFTSUHZRRYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO3/c1-6(2)4-8(3,5-12-9)7(10)11/h6H,4-5,9H2,1-3H3,(H,10,11).
What are the key properties of 2-(aminooxymethyl)-2,4-dimethylpentanoic acid?
2-(aminooxymethyl)-2,4-dimethylpentanoic acid has a molecular weight of 175.23 g/mol, XLogP of 1.01, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminooxymethyl)-2,4-dimethylpentanoic acid is sourced from PubChem (CID 105436137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).