ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate

C14H26N2O4 — CID 107236708

IUPACethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(NNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-5-19-12(17)10-7-6-8-11(9-10)15-16-13(18)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyXLIZAJYTHUKFDY-UHFFFAOYSA-N
MW286.37 g/mol
LogP2.14
Rot. Bonds4

About ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate

ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate (PubChem CID 107236708) has the molecular formula C14H26N2O4 and a molecular weight of 286.37 g/mol. Its IUPAC name is ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
PubChem CID107236708
Molecular FormulaC14H26N2O4
Molecular Weight286.37 g/mol
Exact Mass286.19
IUPAC Nameethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate
SMILESCCOC(=O)C1CCCC(NNC(=O)OC(C)(C)C)C1
InChIInChI=1S/C14H26N2O4/c1-5-19-12(17)10-7-6-8-11(9-10)15-16-13(18)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,18)
InChIKeyXLIZAJYTHUKFDY-UHFFFAOYSA-N
XLogP2.14
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl N-(cyclododecylamino)carbamate
CID 107236860
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
ethyl 4-[[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]methyl]cyclohexane-1-carboxylate
CID 156823405
ethyl 3-[2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]propylamino]cyclohexane-1-carboxylate
CID 114267995
1-O-ethyl 3-O-methyl cyclohexane-1,3-dicarboxylate
CID 66983859
cis-ethyl (1S,2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 53393786
tert-butyl N-[(4,4-dimethylcyclohexyl)amino]carbamate
CID 90065651
tert-butyl N-[(1R,3S)-3-carbamoylcyclohexyl]carbamate
CID 71279992
tert-butyl N-(3-carbamoylcyclohexyl)carbamate
CID 67324654
tert-butyl N-[(1-carbamoylpiperidin-4-yl)amino]carbamate
CID 107237122
tert-butyl N-[[(3R)-piperidin-3-yl]amino]carbamate
CID 71023711
cis-ethyl (3R,4S)-3-hydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopentane-1-carboxylate
CID 153283100

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate?
The IUPAC name of ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate (CID 107236708) is ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate.
What is the SMILES notation for ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate?
The canonical SMILES for ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate is CCOC(=O)C1CCCC(NNC(=O)OC(C)(C)C)C1.
What is the InChIKey of ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate?
The InChIKey is XLIZAJYTHUKFDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O4/c1-5-19-12(17)10-7-6-8-11(9-10)15-16-13(18)20-14(2,3)4/h10-11,15H,5-9H2,1-4H3,(H,16,18).
What are the key properties of ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate?
ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate has a molecular weight of 286.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]cyclohexane-1-carboxylate is sourced from PubChem (CID 107236708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).