tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate

C8H16N3O3- — CID 88519589

IUPACtert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CN([O-])CN1
InChIInChI=1S/C8H16N3O3/c1-8(2,3)14-7(12)10-6-4-11(13)5-9-6/h6,9H,4-5H2,1-3H3,(H,10,12)/q-1
InChIKeyLOAJWOSXVWFRBC-UHFFFAOYSA-N
MW202.23 g/mol
LogP0.20
Rot. Bonds1

About tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate

tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate (PubChem CID 88519589) has the molecular formula C8H16N3O3- and a molecular weight of 202.23 g/mol. Its IUPAC name is tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate
PubChem CID88519589
Molecular FormulaC8H16N3O3-
Molecular Weight202.23 g/mol
Exact Mass202.12
IUPAC Nametert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CN([O-])CN1
InChIInChI=1S/C8H16N3O3/c1-8(2,3)14-7(12)10-6-4-11(13)5-9-6/h6,9H,4-5H2,1-3H3,(H,10,12)/q-1
InChIKeyLOAJWOSXVWFRBC-UHFFFAOYSA-N
XLogP0.20
TPSA76.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.23
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[1-(2-methylpropanoyl)azetidin-3-yl]carbamate
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tert-butyl N-[4-(hydroxymethyl)piperidin-2-yl]carbamate
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4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylic acid
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tert-butyl N-[1-[(1S,2S)-2-fluorocyclopropanecarbonyl]azetidin-3-yl]carbamate
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tert-butyl (3S)-4-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
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tert-butyl N-[(3S,4S)-4-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-methyl-5-oxopyrrolidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate?
The IUPAC name of tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate (CID 88519589) is tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate is CC(C)(C)OC(=O)NC1CN([O-])CN1.
What is the InChIKey of tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate?
The InChIKey is LOAJWOSXVWFRBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N3O3/c1-8(2,3)14-7(12)10-6-4-11(13)5-9-6/h6,9H,4-5H2,1-3H3,(H,10,12)/q-1.
What are the key properties of tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate?
tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate has a molecular weight of 202.23 g/mol, XLogP of 0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-oxidoimidazolidin-4-yl)carbamate is sourced from PubChem (CID 88519589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).