[(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate

C8H10FNO6 — CID 70023812

IUPAC[(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate
SMILESN[C@]1(OC(=O)O)[C@H]2[C@@H](C[C@@H]1F)[C@@H]2OC(=O)O
InChIInChI=1S/C8H10FNO6/c9-3-1-2-4(5(2)15-6(11)12)8(3,10)16-7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3+,4+,5+,8-/m1/s1
InChIKeyZWORYBRDTAMWAR-POLWSVIISA-N
MW235.17 g/mol
LogP0.39
Rot. Bonds2

About [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate

[(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate (PubChem CID 70023812) has the molecular formula C8H10FNO6 and a molecular weight of 235.17 g/mol. Its IUPAC name is [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate.

Molecular Properties

Compound Name[(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate
PubChem CID70023812
Molecular FormulaC8H10FNO6
Molecular Weight235.17 g/mol
Exact Mass235.05
IUPAC Name[(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate
SMILESN[C@]1(OC(=O)O)[C@H]2[C@@H](C[C@@H]1F)[C@@H]2OC(=O)O
InChIInChI=1S/C8H10FNO6/c9-3-1-2-4(5(2)15-6(11)12)8(3,10)16-7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3+,4+,5+,8-/m1/s1
InChIKeyZWORYBRDTAMWAR-POLWSVIISA-N
XLogP0.39
TPSA119.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate with MolForge

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Related Compounds

1-(4,4-dimethylcyclohexyl)oxycarbonyloxyethyl (1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluorobicyclo[3.1.0]hexane-6-carboxylate
CID 130272793
(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluorobicyclo[3.1.0]hexane-6-carboxylate
CID 130273525
(2R,3R,5S,6S)-2-amino-3-fluorobicyclo[3.1.0]hexane-2,6-dicarboxylic acid
CID 66784537
(1-aminocyclopropyl) hydrogen carbonate
CID 23070284
3-azabicyclo[3.1.0]hexan-6-yl hydrogen carbonate
CID 140536555
ethyl (1S,2S,3S,5R,6S)-2-amino-2-cyano-3-fluorobicyclo[3.1.0]hexane-6-carboxylate
CID 130272602
(2,4-dicarboxyoxy-1-methylcyclopentyl) hydrogen carbonate
CID 90004290
[(3R,5S)-3,5-dimethylcyclohexyl] hydrogen carbonate
CID 67795036
(1S,2S,3S,6R)-2-amino-6-[1-(4,4-dimethylcyclohexyl)oxycarbonyloxyethoxycarbonyl]-3-fluorobicyclo[3.1.0]hexane-2-carboxylic acid
CID 130273129
ethyl 2-[(1S,2S)-2-fluorocyclopropyl]acetate
CID 171935476
cycloheptyl hydrogen carbonate
CID 23179405
2-[(1R,2S)-2-fluorocyclopropyl]acetic acid
CID 162187891

Frequently Asked Questions

What is the IUPAC name of [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate?
The IUPAC name of [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate (CID 70023812) is [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate.
What is the SMILES notation for [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate?
The canonical SMILES for [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate is N[C@]1(OC(=O)O)[C@H]2[C@@H](C[C@@H]1F)[C@@H]2OC(=O)O.
What is the InChIKey of [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate?
The InChIKey is ZWORYBRDTAMWAR-POLWSVIISA-N. The full InChI is InChI=1S/C8H10FNO6/c9-3-1-2-4(5(2)15-6(11)12)8(3,10)16-7(13)14/h2-5H,1,10H2,(H,11,12)(H,13,14)/t2-,3+,4+,5+,8-/m1/s1.
What are the key properties of [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate?
[(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate has a molecular weight of 235.17 g/mol, XLogP of 0.39, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2S,3S,5R,6S)-2-amino-2-carboxyoxy-3-fluoro-6-bicyclo[3.1.0]hexanyl] hydrogen carbonate is sourced from PubChem (CID 70023812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).