tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate

C11H15FN2O4 — CID 178200768

IUPACtert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)NC(=O)[C@]2(F)CC[C@H]12
InChIInChI=1S/C11H15FN2O4/c1-10(2,3)18-9(17)14-6-4-5-11(6,12)7(15)13-8(14)16/h6H,4-5H2,1-3H3,(H,13,15,16)/t6-,11-/m0/s1
InChIKeyRVRQPBMQMNMIDO-KGFZYKRKSA-N
MW258.25 g/mol
LogP1.34
Rot. Bonds

About tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate

tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate (PubChem CID 178200768) has the molecular formula C11H15FN2O4 and a molecular weight of 258.25 g/mol. Its IUPAC name is tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate
PubChem CID178200768
Molecular FormulaC11H15FN2O4
Molecular Weight258.25 g/mol
Exact Mass258.10
IUPAC Nametert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)NC(=O)[C@]2(F)CC[C@H]12
InChIInChI=1S/C11H15FN2O4/c1-10(2,3)18-9(17)14-6-4-5-11(6,12)7(15)13-8(14)16/h6H,4-5H2,1-3H3,(H,13,15,16)/t6-,11-/m0/s1
InChIKeyRVRQPBMQMNMIDO-KGFZYKRKSA-N
XLogP1.34
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.25
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate with MolForge

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Related Compounds

tert-butyl 2-(4,4-difluorocyclohexyl)-5-oxopyrrolidine-1-carboxylate
CID 146633700
tert-butyl (3aR,6aS)-2-oxo-1,3a,4,5,6,6a-hexahydrocyclopenta[d]imidazole-3-carboxylate
CID 58464091
tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 14686213
tert-butyl 6-methyl-3-oxo-2,5-diazaspiro[3.4]octane-5-carboxylate
CID 126626029
tert-butyl 4-[(1S)-2,2-difluorocyclobutyl]piperazine-1-carboxylate
CID 135284315
tert-butyl (3R,6R)-3,6-dimethyl-2-oxopiperidine-1-carboxylate
CID 11736302
tert-butyl 4-hydroxy-1-oxo-2,8-diazaspiro[4.5]decane-8-carboxylate
CID 86709491
tert-butyl (1S,2R,5R)-2-fluoro-1,5-dimethyl-3-oxo-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 154677157
tert-butyl (3aR,6S,6aS)-6-bromo-2-oxo-3,3a,4,5,6,6a-hexahydrocyclopenta[b]pyrrole-1-carboxylate
CID 101433051
tert-butyl 1-methyl-2,4-dioxo-1,3,8-triazaspiro[4.5]decane-8-carboxylate
CID 151169776
tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
CID 99978734

Frequently Asked Questions

What is the IUPAC name of tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate?
The IUPAC name of tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate (CID 178200768) is tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate.
What is the SMILES notation for tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate?
The canonical SMILES for tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate is CC(C)(C)OC(=O)N1C(=O)NC(=O)[C@]2(F)CC[C@H]12.
What is the InChIKey of tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate?
The InChIKey is RVRQPBMQMNMIDO-KGFZYKRKSA-N. The full InChI is InChI=1S/C11H15FN2O4/c1-10(2,3)18-9(17)14-6-4-5-11(6,12)7(15)13-8(14)16/h6H,4-5H2,1-3H3,(H,13,15,16)/t6-,11-/m0/s1.
What are the key properties of tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate?
tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate has a molecular weight of 258.25 g/mol, XLogP of 1.34, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (1S,6S)-6-fluoro-3,5-dioxo-2,4-diazabicyclo[4.2.0]octane-2-carboxylate is sourced from PubChem (CID 178200768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).