tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid

C11H18N2O4 — CID 57371698

IUPACtert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1C(=O)N2CCCOC12
InChIInChI=1S/C11H18N2O4/c1-11(2,3)13(10(15)16)7-8(14)12-5-4-6-17-9(7)12/h7,9H,4-6H2,1-3H3,(H,15,16)/t7-,9?/m1/s1
InChIKeyIHXPOGZBPHZJMH-YOXFSPIKSA-N
MW242.27 g/mol
LogP0.72
Rot. Bonds1

About tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid

tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid (PubChem CID 57371698) has the molecular formula C11H18N2O4 and a molecular weight of 242.27 g/mol. Its IUPAC name is tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid.

Molecular Properties

Compound Nametert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid
PubChem CID57371698
Molecular FormulaC11H18N2O4
Molecular Weight242.27 g/mol
Exact Mass242.13
IUPAC Nametert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid
SMILESCC(C)(C)N(C(=O)O)[C@@H]1C(=O)N2CCCOC12
InChIInChI=1S/C11H18N2O4/c1-11(2,3)13(10(15)16)7-8(14)12-5-4-6-17-9(7)12/h7,9H,4-6H2,1-3H3,(H,15,16)/t7-,9?/m1/s1
InChIKeyIHXPOGZBPHZJMH-YOXFSPIKSA-N
XLogP0.72
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid?
The IUPAC name of tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid (CID 57371698) is tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid.
What is the SMILES notation for tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid?
The canonical SMILES for tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid is CC(C)(C)N(C(=O)O)[C@@H]1C(=O)N2CCCOC12.
What is the InChIKey of tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid?
The InChIKey is IHXPOGZBPHZJMH-YOXFSPIKSA-N. The full InChI is InChI=1S/C11H18N2O4/c1-11(2,3)13(10(15)16)7-8(14)12-5-4-6-17-9(7)12/h7,9H,4-6H2,1-3H3,(H,15,16)/t7-,9?/m1/s1.
What are the key properties of tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid?
tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid has a molecular weight of 242.27 g/mol, XLogP of 0.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(7S)-8-oxo-5-oxa-1-azabicyclo[4.2.0]octan-7-yl]carbamic acid is sourced from PubChem (CID 57371698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).