tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate

C14H25NO5 — CID 140638339

IUPACtert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate
SMILESCC(C)(C)OC(=O)COC1CCC(CC(=O)NO)CC1
InChIInChI=1S/C14H25NO5/c1-14(2,3)20-13(17)9-19-11-6-4-10(5-7-11)8-12(16)15-18/h10-11,18H,4-9H2,1-3H3,(H,15,16)
InChIKeyPVSQRTDLLUUORS-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.80
Rot. Bonds5

About tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate

tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate (PubChem CID 140638339) has the molecular formula C14H25NO5 and a molecular weight of 287.36 g/mol. Its IUPAC name is tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate.

Molecular Properties

Compound Nametert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate
PubChem CID140638339
Molecular FormulaC14H25NO5
Molecular Weight287.36 g/mol
Exact Mass287.17
IUPAC Nametert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate
SMILESCC(C)(C)OC(=O)COC1CCC(CC(=O)NO)CC1
InChIInChI=1S/C14H25NO5/c1-14(2,3)20-13(17)9-19-11-6-4-10(5-7-11)8-12(16)15-18/h10-11,18H,4-9H2,1-3H3,(H,15,16)
InChIKeyPVSQRTDLLUUORS-UHFFFAOYSA-N
XLogP1.80
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl 2-[(1R)-3-hydroxycyclopentyl]oxyacetate
CID 143503788
tert-butyl 2-cyclopent-3-en-1-yloxyacetate
CID 123892094
2-[4-(4-cyclohexylbutoxy)cyclohexyl]-N-hydroxyacetamide
CID 140638332
tert-butyl 2-[(3R)-pyrrolidin-3-yl]oxyacetate
CID 126620309
tert-butyl 2-(4-hydroxycyclohexyl)acetate
CID 18919465
tert-butyl 2-[(4-methylcyclohexyl)methylamino]acetate
CID 63243388
tert-butyl 2-[(1R,3S)-3-hydroxycyclohexyl]oxyacetate
CID 58280201
N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide
CID 140638326
tert-butyl 2-[1-[2-(2-methoxyethylamino)acetyl]piperidin-4-yl]oxyacetate
CID 18925471
tert-butyl 2-(4-formylcyclohexyl)acetate
CID 86602219
tert-butyl 2-[4-(1,2-dihydroxyethyl)cyclohexyl]acetate
CID 157377003
tert-butyl 9-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]-3-azaspiro[5.5]undecane-4-carboxylate
CID 175533465

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate?
The IUPAC name of tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate (CID 140638339) is tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate.
What is the SMILES notation for tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate?
The canonical SMILES for tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate is CC(C)(C)OC(=O)COC1CCC(CC(=O)NO)CC1.
What is the InChIKey of tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate?
The InChIKey is PVSQRTDLLUUORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO5/c1-14(2,3)20-13(17)9-19-11-6-4-10(5-7-11)8-12(16)15-18/h10-11,18H,4-9H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate?
tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate has a molecular weight of 287.36 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[4-[2-(hydroxyamino)-2-oxoethyl]cyclohexyl]oxyacetate is sourced from PubChem (CID 140638339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).