benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate

C15H19NO5 — CID 102220092

IUPACbenzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCO[C@@H]1[C@@H]2O[C@@H](C[C@H]2O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-19-14-13-12(17)7-11(21-13)8-16(14)15(18)20-9-10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13+,14+/m0/s1
InChIKeyILULTCFAVUGTBD-REWJHTLYSA-N
MW293.32 g/mol
LogP1.13
Rot. Bonds3

About benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate

benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate (PubChem CID 102220092) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate.

Molecular Properties

Compound Namebenzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
PubChem CID102220092
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Namebenzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate
SMILESCO[C@@H]1[C@@H]2O[C@@H](C[C@H]2O)CN1C(=O)OCc1ccccc1
InChIInChI=1S/C15H19NO5/c1-19-14-13-12(17)7-11(21-13)8-16(14)15(18)20-9-10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13+,14+/m0/s1
InChIKeyILULTCFAVUGTBD-REWJHTLYSA-N
XLogP1.13
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate with MolForge

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Related Compounds

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benzyl (2S,4R)-4-hydroxy-2-[(E)-prop-1-enyl]pyrrolidine-1-carboxylate
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benzyl (1R,3S,4S,7R)-3-methoxy-7-phenylmethoxy-2-oxa-5-azabicyclo[2.2.1]heptane-5-carboxylate
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1-O-benzyl 2-O-methyl (2S,3R)-3-hydroxypyrrolidine-1,2-dicarboxylate
CID 169448826
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1-O-benzyl 2-O,4-O-dimethyl (2S)-pyrrolidine-1,2,4-tricarboxylate
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benzyl (2R,3R)-2-methoxy-3-phenylmethoxypiperidine-1-carboxylate
CID 10498412
benzyl 4-(2-hydroxyethyl)-2-methoxypyrrolidine-1-carboxylate
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benzyl (3S)-3-hydroxy-4-methoxypyrrolidine-1-carboxylate;benzyl 6-oxa-3-azabicyclo[3.1.0]hexane-3-carboxylate
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Frequently Asked Questions

What is the IUPAC name of benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
The IUPAC name of benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate (CID 102220092) is benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate.
What is the SMILES notation for benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
The canonical SMILES for benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate is CO[C@@H]1[C@@H]2O[C@@H](C[C@H]2O)CN1C(=O)OCc1ccccc1.
What is the InChIKey of benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
The InChIKey is ILULTCFAVUGTBD-REWJHTLYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-19-14-13-12(17)7-11(21-13)8-16(14)15(18)20-9-10-5-3-2-4-6-10/h2-6,11-14,17H,7-9H2,1H3/t11-,12+,13+,14+/m0/s1.
What are the key properties of benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate?
benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (1R,2R,5S,7R)-7-hydroxy-2-methoxy-8-oxa-3-azabicyclo[3.2.1]octane-3-carboxylate is sourced from PubChem (CID 102220092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).