tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate

C10H18N2O6 — CID 155406485

IUPACtert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate
SMILESCON1CCC(OC(=O)OC(C)(C)C)N(O)C1=O
InChIInChI=1S/C10H18N2O6/c1-10(2,3)18-9(14)17-7-5-6-11(16-4)8(13)12(7)15/h7,15H,5-6H2,1-4H3
InChIKeyOUGHFYOLDLTXNC-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.34
Rot. Bonds2

About tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate

tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate (PubChem CID 155406485) has the molecular formula C10H18N2O6 and a molecular weight of 262.26 g/mol. Its IUPAC name is tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate.

Molecular Properties

Compound Nametert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate
PubChem CID155406485
Molecular FormulaC10H18N2O6
Molecular Weight262.26 g/mol
Exact Mass262.12
IUPAC Nametert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate
SMILESCON1CCC(OC(=O)OC(C)(C)C)N(O)C1=O
InChIInChI=1S/C10H18N2O6/c1-10(2,3)18-9(14)17-7-5-6-11(16-4)8(13)12(7)15/h7,15H,5-6H2,1-4H3
InChIKeyOUGHFYOLDLTXNC-UHFFFAOYSA-N
XLogP1.34
TPSA88.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl (4-cyclohexyloxycarbonyloxycyclohexyl) carbonate
CID 23066168
tert-butyl piperidin-4-yl carbonate
CID 22078382
tert-butyl [(2S)-5-oxopyrrolidin-2-yl]methyl carbonate
CID 11148606
tert-butyl 3-iodo-2-oxopyrrolidine-1-carboxylate
CID 156755217
tert-butyl (4-propan-2-yloxycarbonyloxycyclohexyl) carbonate
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tert-butyl (1S)-3-methylidenecyclopentane-1-carboxylate
CID 58332012

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate?
The IUPAC name of tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate (CID 155406485) is tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate.
What is the SMILES notation for tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate?
The canonical SMILES for tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate is CON1CCC(OC(=O)OC(C)(C)C)N(O)C1=O.
What is the InChIKey of tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate?
The InChIKey is OUGHFYOLDLTXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O6/c1-10(2,3)18-9(14)17-7-5-6-11(16-4)8(13)12(7)15/h7,15H,5-6H2,1-4H3.
What are the key properties of tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate?
tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate has a molecular weight of 262.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3-hydroxy-1-methoxy-2-oxo-1,3-diazinan-4-yl) carbonate is sourced from PubChem (CID 155406485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).