[(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate

C14H15NO4 — CID 10825295

IUPAC[(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate
SMILESO=C(O[C@@H]1CCN2C(=O)[C@H](O)C[C@@H]12)c1ccccc1
InChIInChI=1S/C14H15NO4/c16-11-8-10-12(6-7-15(10)13(11)17)19-14(18)9-4-2-1-3-5-9/h1-5,10-12,16H,6-8H2/t10-,11+,12+/m0/s1
InChIKeyLCRYNVAXDDRJIL-QJPTWQEYSA-N
MW261.28 g/mol
LogP0.58
Rot. Bonds2

About [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate

[(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate (PubChem CID 10825295) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate.

Molecular Properties

Compound Name[(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate
PubChem CID10825295
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Name[(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate
SMILESO=C(O[C@@H]1CCN2C(=O)[C@H](O)C[C@@H]12)c1ccccc1
InChIInChI=1S/C14H15NO4/c16-11-8-10-12(6-7-15(10)13(11)17)19-14(18)9-4-2-1-3-5-9/h1-5,10-12,16H,6-8H2/t10-,11+,12+/m0/s1
InChIKeyLCRYNVAXDDRJIL-QJPTWQEYSA-N
XLogP0.58
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate with MolForge

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Related Compounds

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CID 10385885
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CID 11833102
[(1S,2R)-2-hydroxycycloheptyl] benzoate
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CID 5338357
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CID 170674316
[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl] benzoate
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[(3R)-1-hydroxy-2,5-dioxopyrrolidin-3-yl] benzoate
CID 163747138
benzoic acid;(3-benzoyloxy-4,5-dihydroxycyclohexyl) benzoate
CID 145437281
(4-benzoyloxyoxolan-3-yl) benzoate
CID 123149129
[(2R,3S)-3-benzoyloxy-8-methyl-8-azabicyclo[3.2.1]octan-2-yl]methyl benzoate;hydrochloride
CID 54598419
[(1S,3S)-3-hydroxycyclopentyl] benzoate
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Frequently Asked Questions

What is the IUPAC name of [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate?
The IUPAC name of [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate (CID 10825295) is [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate.
What is the SMILES notation for [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate?
The canonical SMILES for [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate is O=C(O[C@@H]1CCN2C(=O)[C@H](O)C[C@@H]12)c1ccccc1.
What is the InChIKey of [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate?
The InChIKey is LCRYNVAXDDRJIL-QJPTWQEYSA-N. The full InChI is InChI=1S/C14H15NO4/c16-11-8-10-12(6-7-15(10)13(11)17)19-14(18)9-4-2-1-3-5-9/h1-5,10-12,16H,6-8H2/t10-,11+,12+/m0/s1.
What are the key properties of [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate?
[(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate has a molecular weight of 261.28 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,6R,8S)-6-hydroxy-5-oxo-1,2,3,6,7,8-hexahydropyrrolizin-1-yl] benzoate is sourced from PubChem (CID 10825295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).