methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate

C15H25NO8 — CID 22217235

IUPACmethyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC(OC)(C2(OC)OCC(OC)C2OC)C(=O)N1C
InChIInChI=1S/C15H25NO8/c1-16-9(12(17)21-4)7-14(22-5,13(16)18)15(23-6)11(20-3)10(19-2)8-24-15/h9-11H,7-8H2,1-6H3/t9-,10?,11?,14?,15?/m0/s1
InChIKeyCCUSRAGJOVVSMG-BQTHKGAZSA-N
MW347.36 g/mol
LogP-0.82
Rot. Bonds6

About methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate

methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate (PubChem CID 22217235) has the molecular formula C15H25NO8 and a molecular weight of 347.36 g/mol. Its IUPAC name is methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate
PubChem CID22217235
Molecular FormulaC15H25NO8
Molecular Weight347.36 g/mol
Exact Mass347.16
IUPAC Namemethyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1CC(OC)(C2(OC)OCC(OC)C2OC)C(=O)N1C
InChIInChI=1S/C15H25NO8/c1-16-9(12(17)21-4)7-14(22-5,13(16)18)15(23-6)11(20-3)10(19-2)8-24-15/h9-11H,7-8H2,1-6H3/t9-,10?,11?,14?,15?/m0/s1
InChIKeyCCUSRAGJOVVSMG-BQTHKGAZSA-N
XLogP-0.82
TPSA92.76 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 5-0.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate (CID 22217235) is methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate is COC(=O)[C@@H]1CC(OC)(C2(OC)OCC(OC)C2OC)C(=O)N1C.
What is the InChIKey of methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is CCUSRAGJOVVSMG-BQTHKGAZSA-N. The full InChI is InChI=1S/C15H25NO8/c1-16-9(12(17)21-4)7-14(22-5,13(16)18)15(23-6)11(20-3)10(19-2)8-24-15/h9-11H,7-8H2,1-6H3/t9-,10?,11?,14?,15?/m0/s1.
What are the key properties of methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate?
methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate has a molecular weight of 347.36 g/mol, XLogP of -0.82, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 22217235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).