[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate

C7H10O6 — CID 66838370

IUPAC[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate
SMILESO=C(O)O[C@@H]1CCC[C@H]1OC(=O)O
InChIInChI=1S/C7H10O6/c8-6(9)12-4-2-1-3-5(4)13-7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1
InChIKeyYYIACIVHHYZHLK-RFZPGFLSSA-N
MW190.15 g/mol
LogP1.30
Rot. Bonds2

About [(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate

[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate (PubChem CID 66838370) has the molecular formula C7H10O6 and a molecular weight of 190.15 g/mol. Its IUPAC name is [(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate.

Molecular Properties

Compound Name[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate
PubChem CID66838370
Molecular FormulaC7H10O6
Molecular Weight190.15 g/mol
Exact Mass190.05
IUPAC Name[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate
SMILESO=C(O)O[C@@H]1CCC[C@H]1OC(=O)O
InChIInChI=1S/C7H10O6/c8-6(9)12-4-2-1-3-5(4)13-7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1
InChIKeyYYIACIVHHYZHLK-RFZPGFLSSA-N
XLogP1.30
TPSA93.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[(1S,2R)-2-carboxyoxycyclohexyl] hydrogen carbonate
CID 57178626
(4,5,8-tricarboxyoxy-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-1-yl) hydrogen carbonate
CID 89439908
(2-aminocyclohexyl) hydrogen carbonate;hydrochloride
CID 171616826
[2-(2-bromoacetyl)oxycyclopentyl] 2-bromoacetate
CID 4593962
cycloheptyl hydrogen carbonate
CID 23179405
azane;cyclohexyl hydrogen carbonate
CID 67723937
[2-(3-methylbut-2-enoyloxy)cyclopentyl] 3-methylbut-2-enoate
CID 24960116
[(3S,3aR,6S,6aR)-6-carboxyoxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl] hydrogen carbonate
CID 118173855
1-azabicyclo[2.2.2]octan-3-yl hydrogen carbonate
CID 68769471
cyclohexyl hydrogen carbonate;iodomethane
CID 174434119
(2,4-dicarboxyoxycyclohexyl) methyl carbonate
CID 23066460
[2-carboxyoxy-4,5-bis(methoxycarbonyloxy)cyclohexyl] methyl carbonate
CID 23066406

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate?
The IUPAC name of [(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate (CID 66838370) is [(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate.
What is the SMILES notation for [(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate?
The canonical SMILES for [(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate is O=C(O)O[C@@H]1CCC[C@H]1OC(=O)O.
What is the InChIKey of [(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate?
The InChIKey is YYIACIVHHYZHLK-RFZPGFLSSA-N. The full InChI is InChI=1S/C7H10O6/c8-6(9)12-4-2-1-3-5(4)13-7(10)11/h4-5H,1-3H2,(H,8,9)(H,10,11)/t4-,5-/m1/s1.
What are the key properties of [(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate?
[(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate has a molecular weight of 190.15 g/mol, XLogP of 1.30, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-carboxyoxycyclopentyl] hydrogen carbonate is sourced from PubChem (CID 66838370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).