2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid

C10H19NO3 — CID 167352454

IUPAC2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid
SMILESCCC/C(=N\OCC(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-8(10(2,3)4)11-14-7-9(12)13/h5-7H2,1-4H3,(H,12,13)/b11-8+
InChIKeyPZJBUSYXRDYAJJ-DHZHZOJOSA-N
MW201.27 g/mol
LogP2.29
Rot. Bonds5

About 2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid

2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid (PubChem CID 167352454) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid.

Molecular Properties

Compound Name2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid
PubChem CID167352454
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid
SMILESCCC/C(=N\OCC(=O)O)C(C)(C)C
InChIInChI=1S/C10H19NO3/c1-5-6-8(10(2,3)4)11-14-7-9(12)13/h5-7H2,1-4H3,(H,12,13)/b11-8+
InChIKeyPZJBUSYXRDYAJJ-DHZHZOJOSA-N
XLogP2.29
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.29
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-[(E)-3,3-dimethylbutan-2-ylideneamino]oxyacetic acid
CID 58663188
2-[(E)-1-(1-methylcyclohexyl)ethylideneamino]oxyacetic acid
CID 137500844
2-[(E)-3,3-dimethylpentan-2-ylideneamino]oxyacetic acid
CID 137500864
2-(Heptan-4-ylideneamino)oxyacetic acid
CID 63930105
2-(3,3-Dimethylbutan-2-ylideneamino)oxyacetic acid
CID 72385874
2-(4-Methylpentan-2-ylideneamino)oxyacetic acid
CID 77013369
2-[1-(1-Methylcyclohexyl)ethylideneamino]oxyacetic acid
CID 137500845
2-[(E)-(1-cyano-3,3-dimethylbutan-2-ylidene)amino]oxyacetic acid
CID 137500854
2-[(1-Cyano-3,3-dimethylbutan-2-ylidene)amino]oxyacetic acid
CID 137500856
2-(3,3-Dimethylpentan-2-ylideneamino)oxyacetic acid
CID 137500868
2-[(E)-(4-iodo-3,3-dimethylbutan-2-ylidene)amino]oxyacetic acid
CID 154620559
2-[(E)-3,3-dimethylhexan-2-ylideneamino]oxyacetic acid
CID 155055459

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid?
The IUPAC name of 2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid (CID 167352454) is 2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid.
What is the SMILES notation for 2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid?
The canonical SMILES for 2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid is CCC/C(=N\OCC(=O)O)C(C)(C)C.
What is the InChIKey of 2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid?
The InChIKey is PZJBUSYXRDYAJJ-DHZHZOJOSA-N. The full InChI is InChI=1S/C10H19NO3/c1-5-6-8(10(2,3)4)11-14-7-9(12)13/h5-7H2,1-4H3,(H,12,13)/b11-8+.
What are the key properties of 2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid?
2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid has a molecular weight of 201.27 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid is sourced from PubChem (CID 167352454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).