(3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione

C17H23NO5 — CID 71573467

IUPAC(3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione
SMILESC[C@@H]1C[C@@]2(CCC(=O)N3[C@H]2CC[C@H]3[C@@H]2C[C@H](C)C(=O)O2)OC1=O
InChIInChI=1S/C17H23NO5/c1-9-7-12(22-15(9)20)11-3-4-13-17(6-5-14(19)18(11)13)8-10(2)16(21)23-17/h9-13H,3-8H2,1-2H3/t9-,10+,11-,12-,13-,17+/m0/s1
InChIKeyFKKHBZKSDBNCSU-JPJLOJDSSA-N
MW321.37 g/mol
LogP1.41
Rot. Bonds1

About (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione

(3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione (PubChem CID 71573467) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione.

Molecular Properties

Compound Name(3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione
PubChem CID71573467
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name(3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione
SMILESC[C@@H]1C[C@@]2(CCC(=O)N3[C@H]2CC[C@H]3[C@@H]2C[C@H](C)C(=O)O2)OC1=O
InChIInChI=1S/C17H23NO5/c1-9-7-12(22-15(9)20)11-3-4-13-17(6-5-14(19)18(11)13)8-10(2)16(21)23-17/h9-13H,3-8H2,1-2H3/t9-,10+,11-,12-,13-,17+/m0/s1
InChIKeyFKKHBZKSDBNCSU-JPJLOJDSSA-N
XLogP1.41
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione with MolForge

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Related Compounds

Sessilifoliamide J
CID 71546094
(3R,5R)-3-methyl-5-[4-[(2R)-2-[(2R,4R)-4-methyl-5-oxooxolan-2-yl]pyrrolidin-1-yl]butyl]oxolan-2-one
CID 101518052
(3R,5R)-3-methyl-5-[4-[(2R)-2-[(2S,4R)-4-methyl-5-oxooxolan-2-yl]pyrrolidin-1-yl]butyl]oxolan-2-one
CID 101518053
Lithium(1+) 4-((tert-butoxy)carbonyl)-octahydrofuro(3,2-b)pyridine-6-carboxylate
CID 165796888
(1R,3R,8R,8aS)-1,3-diethyl-8-methoxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134853765
tert-butyl (2S,3R,5R)-3,5-diethyl-2-[(2R)-5-oxooxolan-2-yl]pyrrolidine-1-carboxylate
CID 134969659
ethyl 2-(1,1-dimethyl-3-oxo-6,7,8,8a-tetrahydro-5H-[1,3]oxazolo[3,4-a]pyridin-7-yl)acetate
CID 58442911
(3aR,7aS)-7-tert-butyl-2-oxo-3,3a,4,5,7,7a-hexahydrofuro[2,3-c]pyridine-6-carboxylic acid
CID 67435425
((7S,8aR)-3-Oxo-1,1'-dimethyl-hexahydro-oxazolo[3,4-a]pyridin-7-yl)-acetic acid ethyl ester
CID 86657748
ethyl (7S)-3,3,4-trimethyl-1-oxo-4a,5,6,7-tetrahydro-4H-pyrrolo[1,2-c][1,3]oxazine-7-carboxylate
CID 89641369
5-[(2R,3R)-1-azido-2,3,4-trimethylhexyl]oxolan-2-one;(1R,2S,3R)-8-hydroxy-3-(hydroxymethyl)-1,2-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one;vanadium
CID 158115764
ethyl 2-methyl-5,7-dioxo-2,3,8,8a-tetrahydro-1H-indolizine-3-carboxylate
CID 162684242

Frequently Asked Questions

What is the IUPAC name of (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione?
The IUPAC name of (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione (CID 71573467) is (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione.
What is the SMILES notation for (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione?
The canonical SMILES for (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione is C[C@@H]1C[C@@]2(CCC(=O)N3[C@H]2CC[C@H]3[C@@H]2C[C@H](C)C(=O)O2)OC1=O.
What is the InChIKey of (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione?
The InChIKey is FKKHBZKSDBNCSU-JPJLOJDSSA-N. The full InChI is InChI=1S/C17H23NO5/c1-9-7-12(22-15(9)20)11-3-4-13-17(6-5-14(19)18(11)13)8-10(2)16(21)23-17/h9-13H,3-8H2,1-2H3/t9-,10+,11-,12-,13-,17+/m0/s1.
What are the key properties of (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione?
(3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione has a molecular weight of 321.37 g/mol, XLogP of 1.41, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,3'R,8R,8aS)-3'-methyl-3-[(2S,4S)-4-methyl-5-oxooxolan-2-yl]spiro[1,2,3,6,7,8a-hexahydroindolizine-8,5'-oxolane]-2',5-dione is sourced from PubChem (CID 71573467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).