2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid

C12H23NO3 — CID 143400941

IUPAC2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid
SMILESCC(C)CC(/C=N/OCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)6-10(12(3,4)5)7-13-16-8-11(14)15/h7,9-10H,6,8H2,1-5H3,(H,14,15)/b13-7+
InChIKeyWUMVVNHDAMMRAW-NTUHNPAUSA-N
MW229.32 g/mol
LogP2.78
Rot. Bonds6

About 2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid

2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid (PubChem CID 143400941) has the molecular formula C12H23NO3 and a molecular weight of 229.32 g/mol. Its IUPAC name is 2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid
PubChem CID143400941
Molecular FormulaC12H23NO3
Molecular Weight229.32 g/mol
Exact Mass229.17
IUPAC Name2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid
SMILESCC(C)CC(/C=N/OCC(=O)O)C(C)(C)C
InChIInChI=1S/C12H23NO3/c1-9(2)6-10(12(3,4)5)7-13-16-8-11(14)15/h7,9-10H,6,8H2,1-5H3,(H,14,15)/b13-7+
InChIKeyWUMVVNHDAMMRAW-NTUHNPAUSA-N
XLogP2.78
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(3,5,6-trihydroxy-2,4-dimethylhexylidene)amino]oxyacetic acid
CID 123356072
2-[(E)-[(2E)-2-hydroxyiminoethylidene]amino]oxyacetic acid
CID 135966152
2-[(2-amino-2-oxoethylidene)amino]oxyacetic acid
CID 56609597
(E,3Z)-6-tert-butyl-3-(1-hydroxyprop-2-enylidene)-8-methylnon-4-en-2-one
CID 143777164
2-(3-methylbutan-2-ylideneamino)oxyacetic acid
CID 77013154
2-methyl-2-(4-methylpentan-2-yloxy)butanoic acid
CID 114987810
2,4-dimethyl-2-(4-methylpentan-2-yloxy)pentanoic acid
CID 114991026
2-(1-propan-2-yloxypropan-2-yloxy)acetic acid
CID 87458706
2-(1-formyloxyethoxy)acetic acid
CID 88859959
2-(1-hydroxypropan-2-yloxy)acetic acid
CID 23129856
2-[(2R)-butan-2-yl]oxyacetic acid
CID 92979817
3-(2,5-dimethylhexan-3-yloxy)-2,2-dimethyl-3-oxopropanoic acid
CID 87932227

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid?
The IUPAC name of 2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid (CID 143400941) is 2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid?
The canonical SMILES for 2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid is CC(C)CC(/C=N/OCC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid?
The InChIKey is WUMVVNHDAMMRAW-NTUHNPAUSA-N. The full InChI is InChI=1S/C12H23NO3/c1-9(2)6-10(12(3,4)5)7-13-16-8-11(14)15/h7,9-10H,6,8H2,1-5H3,(H,14,15)/b13-7+.
What are the key properties of 2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid?
2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid has a molecular weight of 229.32 g/mol, XLogP of 2.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(2-tert-butyl-4-methylpentylidene)amino]oxyacetic acid is sourced from PubChem (CID 143400941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).