2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid

C13H23NO3 — CID 63930739

IUPAC2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid
SMILESCCC(C)(C)C1CCC(=NOCC(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-4-13(2,3)10-5-7-11(8-6-10)14-17-9-12(15)16/h10H,4-9H2,1-3H3,(H,15,16)/b14-11-
InChIKeyNQXPQFWCBGNGHC-KAMYIIQDSA-N
MW241.33 g/mol
LogP3.07
Rot. Bonds5

About 2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid

2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid (PubChem CID 63930739) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid
PubChem CID63930739
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid
SMILESCCC(C)(C)C1CCC(=NOCC(=O)O)CC1
InChIInChI=1S/C13H23NO3/c1-4-13(2,3)10-5-7-11(8-6-10)14-17-9-12(15)16/h10H,4-9H2,1-3H3,(H,15,16)/b14-11-
InChIKeyNQXPQFWCBGNGHC-KAMYIIQDSA-N
XLogP3.07
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 53.07
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)-1-(1-methylcyclohexyl)ethylideneamino]oxyacetic acid
CID 137500844
2-[(E)-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid
CID 167352369
2-[(E)-(2-tert-butylcyclohexylidene)amino]oxy-2-methylpropanoic acid
CID 167352378
2-[1-(1-Methylcyclohexyl)ethylideneamino]oxyacetic acid
CID 137500845
2-[(1,7,7-Trimethyl-2-bicyclo[2.2.1]heptanylidene)amino]oxyacetic acid
CID 139761891
2-[(E)-3,3-dimethylhexan-2-ylideneamino]oxyacetic acid
CID 155055459
2-[(E)-1-(1-adamantyl)ethylideneamino]oxyacetic acid
CID 167352402
2-[(E)-2,2-dimethylhexan-3-ylideneamino]oxyacetic acid
CID 167352454
[[4-(2-Methylbutan-2-yl)cyclohexylidene]amino] acetate
CID 169236021
[(4-Cyclohexyl-4-methylpentan-2-ylidene)amino] acetate
CID 3467633
2-[(4-Ethylcyclohexylidene)amino]oxyacetic acid
CID 63929078
2-[(4-Propan-2-ylcyclohexylidene)amino]oxyacetic acid
CID 63929088

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid?
The IUPAC name of 2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid (CID 63930739) is 2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid.
What is the SMILES notation for 2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid?
The canonical SMILES for 2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid is CCC(C)(C)C1CCC(=NOCC(=O)O)CC1.
What is the InChIKey of 2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid?
The InChIKey is NQXPQFWCBGNGHC-KAMYIIQDSA-N. The full InChI is InChI=1S/C13H23NO3/c1-4-13(2,3)10-5-7-11(8-6-10)14-17-9-12(15)16/h10H,4-9H2,1-3H3,(H,15,16)/b14-11-.
What are the key properties of 2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid?
2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid has a molecular weight of 241.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylbutan-2-yl)cyclohexylidene]amino]oxyacetic acid is sourced from PubChem (CID 63930739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).