tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate

C10H15NO4 — CID 14682639

IUPACtert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12CC1COC2=O
InChIInChI=1S/C10H15NO4/c1-9(2,3)15-8(13)11-10-4-6(10)5-14-7(10)12/h6H,4-5H2,1-3H3,(H,11,13)
InChIKeyVMCPDYIYMVXPKS-UHFFFAOYSA-N
MW213.23 g/mol
LogP0.83
Rot. Bonds1

About tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate

tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate (PubChem CID 14682639) has the molecular formula C10H15NO4 and a molecular weight of 213.23 g/mol. Its IUPAC name is tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate
PubChem CID14682639
Molecular FormulaC10H15NO4
Molecular Weight213.23 g/mol
Exact Mass213.10
IUPAC Nametert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12CC1COC2=O
InChIInChI=1S/C10H15NO4/c1-9(2,3)15-8(13)11-10-4-6(10)5-14-7(10)12/h6H,4-5H2,1-3H3,(H,11,13)
InChIKeyVMCPDYIYMVXPKS-UHFFFAOYSA-N
XLogP0.83
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[2-oxo-3-(1-phenylethyl)-3-azabicyclo[3.1.0]hexan-1-yl]carbamate
CID 144619198
tert-butyl N-[(3S)-3-(2-methylpropyl)-2-oxooxetan-3-yl]carbamate
CID 139074129
1-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxocyclopropane-1-carboxylic acid
CID 67416997
tert-butyl N-(2-oxospiro[3.3]heptan-6-yl)carbamate
CID 39872257
(1R,5R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-6-oxabicyclo[3.1.0]hexane-3-carboxylic acid
CID 98172538
tert-butyl N-(5-hydroxy-3-oxabicyclo[3.1.1]heptan-1-yl)carbamate
CID 163301402
1-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[1.1.1]pentane-2-carboxylic acid
CID 169227999
cis-(1S,2S)-2-methyl-1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopropane-1-carboxylic acid
CID 57348144
tert-butyl N-(3-oxo-2-azabicyclo[2.2.1]heptan-4-yl)carbamate
CID 171107387
tert-butyl N-(3-methyl-5-oxopyrrolidin-3-yl)carbamate
CID 105467655
(1S,3S,5R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]bicyclo[3.1.0]hexane-3-carboxylic acid
CID 131042947
tert-butyl N-[(1S,2S)-2-ethenyl-1-iodocyclopropyl]carbamate
CID 89201848

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate?
The IUPAC name of tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate (CID 14682639) is tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate?
The canonical SMILES for tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate is CC(C)(C)OC(=O)NC12CC1COC2=O.
What is the InChIKey of tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate?
The InChIKey is VMCPDYIYMVXPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO4/c1-9(2,3)15-8(13)11-10-4-6(10)5-14-7(10)12/h6H,4-5H2,1-3H3,(H,11,13).
What are the key properties of tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate?
tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate has a molecular weight of 213.23 g/mol, XLogP of 0.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-oxo-3-oxabicyclo[3.1.0]hexan-1-yl)carbamate is sourced from PubChem (CID 14682639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).