methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate

C19H19NO3 — CID 134946251

IUPACmethyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)CC2(CC2)O[C@H]1c1cccnc1
InChIInChI=1S/C19H19NO3/c1-22-17(21)19(15-7-3-2-4-8-15)13-18(9-10-18)23-16(19)14-6-5-11-20-12-14/h2-8,11-12,16H,9-10,13H2,1H3/t16-,19+/m0/s1
InChIKeyCGEXKGDXGJXFEW-QFBILLFUSA-N
MW309.37 g/mol
LogP3.19
Rot. Bonds3

About methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate

methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate (PubChem CID 134946251) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate.

Molecular Properties

Compound Namemethyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate
PubChem CID134946251
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Namemethyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate
SMILESCOC(=O)[C@@]1(c2ccccc2)CC2(CC2)O[C@H]1c1cccnc1
InChIInChI=1S/C19H19NO3/c1-22-17(21)19(15-7-3-2-4-8-15)13-18(9-10-18)23-16(19)14-6-5-11-20-12-14/h2-8,11-12,16H,9-10,13H2,1H3/t16-,19+/m0/s1
InChIKeyCGEXKGDXGJXFEW-QFBILLFUSA-N
XLogP3.19
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate with MolForge

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Related Compounds

[(2S,3S)-2-phenyl-3-pyridin-3-yloxiran-2-yl]methanol
CID 54339470
methyl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 116963934
methyl 2-(hydroxymethyl)-1-phenylcyclopropane-1-carboxylate
CID 58725238
methyl 3,3-difluoro-1-pyridin-3-ylcyclobutane-1-carboxylate
CID 118062001
3-(1-oxaspiro[2.5]octan-2-yl)pyridine
CID 10726324
trans-methyl (1R,2R)-2-pyridin-3-ylcyclopropane-1-carboxylate
CID 118994202
trans-methyl (1S,2R)-2-(4-tert-butylphenyl)-1-phenylcyclopropane-1-carboxylate
CID 122384881
methyl (1S)-2,2-dichloro-1-phenylcyclopropane-1-carboxylate
CID 7127361
dimethyl-phenyl-[(1S,2R)-2-pyridin-3-ylcyclopropyl]silane
CID 134966228
cis-methyl (1S,2S)-2-(4-cyanophenyl)-1-phenylcyclopropane-1-carboxylate
CID 71511985
trans-methyl (1S,2R)-1-phenyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclopropane-1-carboxylate
CID 101251411
methyl 1-phenyl-2-(piperidin-1-ylmethyl)cyclobutane-1-carboxylate
CID 70277896

Frequently Asked Questions

What is the IUPAC name of methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate?
The IUPAC name of methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate (CID 134946251) is methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate.
What is the SMILES notation for methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate?
The canonical SMILES for methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate is COC(=O)[C@@]1(c2ccccc2)CC2(CC2)O[C@H]1c1cccnc1.
What is the InChIKey of methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate?
The InChIKey is CGEXKGDXGJXFEW-QFBILLFUSA-N. The full InChI is InChI=1S/C19H19NO3/c1-22-17(21)19(15-7-3-2-4-8-15)13-18(9-10-18)23-16(19)14-6-5-11-20-12-14/h2-8,11-12,16H,9-10,13H2,1H3/t16-,19+/m0/s1.
What are the key properties of methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate?
methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate has a molecular weight of 309.37 g/mol, XLogP of 3.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (5S,6R)-6-phenyl-5-pyridin-3-yl-4-oxaspiro[2.4]heptane-6-carboxylate is sourced from PubChem (CID 134946251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).