tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate

C15H26N2O5 — CID 102076053

IUPACtert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)NNC1(C(=O)OC(C)(C)C)CCCC1=O
InChIInChI=1S/C15H26N2O5/c1-13(2,3)21-11(19)15(9-7-8-10(15)18)17-16-12(20)22-14(4,5)6/h17H,7-9H2,1-6H3,(H,16,20)
InChIKeySXSBFMJLRQRFIB-UHFFFAOYSA-N
MW314.38 g/mol
LogP1.85
Rot. Bonds3

About tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate

tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate (PubChem CID 102076053) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate
PubChem CID102076053
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate
SMILESCC(C)(C)OC(=O)NNC1(C(=O)OC(C)(C)C)CCCC1=O
InChIInChI=1S/C15H26N2O5/c1-13(2,3)21-11(19)15(9-7-8-10(15)18)17-16-12(20)22-14(4,5)6/h17H,7-9H2,1-6H3,(H,16,20)
InChIKeySXSBFMJLRQRFIB-UHFFFAOYSA-N
XLogP1.85
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl (1R)-1-[(R)-(4-methoxyphenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxocyclopentane-1-carboxylate
CID 134835902
methyl (1R)-1-[(2-methylpropan-2-yl)oxycarbonyl-[(2-methylpropan-2-yl)oxycarbonylamino]amino]-2-oxocyclopentane-1-carboxylate
CID 134954351
methyl (1R)-1-[(R)-(4-chlorophenyl)-[(2-methylpropan-2-yl)oxycarbonylamino]methyl]-2-oxocyclopentane-1-carboxylate
CID 135064302
tert-butyl (1R)-2-oxo-1-(4-oxopentan-2-yl)cyclopentane-1-carboxylate
CID 11230967
tert-butyl (1S)-1-[(R)-[(2-methylpropan-2-yl)oxycarbonylamino]-[3-(trifluoromethyl)phenyl]methyl]-2-oxocyclopentane-1-carboxylate
CID 46855704
tert-butyl (1S)-1-(hydroxymethyl)-2-oxocyclohexane-1-carboxylate
CID 102277330
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxocyclopropane-1-carboxylic acid
CID 67416997
ethyl (1S)-1-[(1S)-3-cyclopentyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]prop-2-ynyl]-2-oxocyclopentane-1-carboxylate
CID 134948434
tert-butyl N-(1-methyl-3-oxocyclopentyl)carbamate
CID 126970299
tert-butyl N-(1-methyl-2-oxocyclohexyl)-N-[(2-methylpropan-2-yl)oxycarbonylamino]carbamate
CID 11210057
tert-butyl 1-cyclooctyl-2-oxocyclooctane-1-carboxylate
CID 153438182
ethyl 4-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]bicyclo[2.2.2]octane-1-carboxylate
CID 118342965

Frequently Asked Questions

What is the IUPAC name of tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate?
The IUPAC name of tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate (CID 102076053) is tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate.
What is the SMILES notation for tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate?
The canonical SMILES for tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate is CC(C)(C)OC(=O)NNC1(C(=O)OC(C)(C)C)CCCC1=O.
What is the InChIKey of tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate?
The InChIKey is SXSBFMJLRQRFIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O5/c1-13(2,3)21-11(19)15(9-7-8-10(15)18)17-16-12(20)22-14(4,5)6/h17H,7-9H2,1-6H3,(H,16,20).
What are the key properties of tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate?
tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate has a molecular weight of 314.38 g/mol, XLogP of 1.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 1-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-2-oxocyclopentane-1-carboxylate is sourced from PubChem (CID 102076053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).