tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate

C11H18N2O4 — CID 130985784

IUPACtert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C(=O)N2CCCO[C@H]12
InChIInChI=1S/C11H18N2O4/c1-11(2,3)17-10(15)12-7-8(14)13-5-4-6-16-9(7)13/h7,9H,4-6H2,1-3H3,(H,12,15)/t7-,9+/m0/s1
InChIKeyIEHCIJNPJCKDDL-IONNQARKSA-N
MW242.27 g/mol
LogP0.47
Rot. Bonds1

About tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate

tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate (PubChem CID 130985784) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate
PubChem CID130985784
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nametert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1C(=O)N2CCCO[C@H]12
InChIInChI=1S/C11H18N2O4/c1-11(2,3)17-10(15)12-7-8(14)13-5-4-6-16-9(7)13/h7,9H,4-6H2,1-3H3,(H,12,15)/t7-,9+/m0/s1
InChIKeyIEHCIJNPJCKDDL-IONNQARKSA-N
XLogP0.47
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[4-hydroxy-2-(3-oxomorpholin-4-yl)cyclohexyl]carbamate
CID 165498547
tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid
CID 57371698
tert-butyl N-[(1S)-2-hydroxycyclopentyl]carbamate
CID 58845331
tert-butyl N-[(1S,2S)-2-hydroxycyclohexyl]carbamate
CID 10013520
tert-butyl N-[(1S,2R)-2-hydroxycyclopentyl]carbamate
CID 51416200
tert-butyl N-[(1R,2R)-2-methylcyclopropyl]carbamate
CID 121309332
tert-butyl N-[(3S)-2-oxo-1-piperidin-4-ylpiperidin-3-yl]carbamate
CID 27281779
tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
CID 68911736
tert-butyl N-[(3R,4R)-4-[4-(2-oxopiperidin-1-yl)piperidin-1-yl]oxolan-3-yl]carbamate
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4-[3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxo-3,4-dihydroquinolin-1-yl]benzoic acid
CID 170679933
tert-butyl N-[(2R,3S)-2-ethyl-1-formyl-4-oxoazetidin-3-yl]carbamate
CID 131076113
tert-butyl N-[(1R,3S,4S,5S,6S)-4,5-dihydroxy-7-oxabicyclo[4.1.0]heptan-3-yl]carbamate
CID 10634091

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate?
The IUPAC name of tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate (CID 130985784) is tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1C(=O)N2CCCO[C@H]12.
What is the InChIKey of tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate?
The InChIKey is IEHCIJNPJCKDDL-IONNQARKSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(2,3)17-10(15)12-7-8(14)13-5-4-6-16-9(7)13/h7,9H,4-6H2,1-3H3,(H,12,15)/t7-,9+/m0/s1.
What are the key properties of tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate?
tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate has a molecular weight of 242.27 g/mol, XLogP of 0.47, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(6R,7R)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamate is sourced from PubChem (CID 130985784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).