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

C15H25NO8 — CID 595058

IUPACmethyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(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
InChIKeyCCUSRAGJOVVSMG-UHFFFAOYSA-N
MW347.36 g/mol
LogP-0.82
Rot. Bonds6

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

methyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate (PubChem CID 595058) has the molecular formula C15H25NO8 and a molecular weight of 347.36 g/mol. Its IUPAC name is methyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate
PubChem CID595058
Molecular FormulaC15H25NO8
Molecular Weight347.36 g/mol
Exact Mass347.16
IUPAC Namemethyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CC(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
InChIKeyCCUSRAGJOVVSMG-UHFFFAOYSA-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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Related Compounds

Ascorbalamic acid
CID 71437684
methyl 3-[(4R,5S)-3-acetyl-4-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-oxazolidin-5-yl]-2-oxopropanoate
CID 10906354
1-O'-tert-butyl 2-O'-methyl (1S,2R,2'S,6R,9R,11R)-4,4-dimethyl-5'-oxospiro[3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11,4'-pyrrolidine]-1',2'-dicarboxylate
CID 11112748
1-O'-tert-butyl 2-O'-methyl (2R,2'S,3aR,6S,7R,7aS)-6-acetyloxy-7-(2,2-dimethylpropanoyloxy)-5'-oxospiro[3,3a,5,6,7,7a-hexahydrofuro[3,2-b]pyran-2,4'-pyrrolidine]-1',2'-dicarboxylate
CID 11627664
ditert-butyl (2S,4S)-4-[(S)-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 15547571
ditert-butyl (2S,4S)-4-[(R)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 15547572
ditert-butyl (1S,2R,2'S,6R,9R,11R)-4,4-dimethyl-5'-oxospiro[3,5,8,12-tetraoxatricyclo[7.3.0.02,6]dodecane-11,4'-pyrrolidine]-1',2'-dicarboxylate
CID 54762770
L-Proline, 4-methoxy-1-methyl-5-oxo-4-(tetrahydro-2,3,4-trimethoxy-2-furanyl)-, methyl ester
CID 22217235
(2S,4R)-4-hydroxy-5-oxo-4-[(2R,3R,4S)-2,3,4-trihydroxyoxolan-2-yl]pyrrolidine-2-carboxylic acid
CID 162978131
ditert-butyl (2S,4S)-4-[(S)-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 15547573
ditert-butyl (2S,4R)-4-[[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-hydroxymethyl]-5-oxopyrrolidine-1,2-dicarboxylate
CID 15547574
(2S)-4-hydroxy-5-oxo-4-(2,3,4-trihydroxyoxolan-2-yl)pyrrolidine-2-carboxylic acid
CID 90472498

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate (CID 595058) is methyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate is COC(=O)C1CC(OC)(C2(OC)OCC(OC)C2OC)C(=O)N1C.
What is the InChIKey of methyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate?
The InChIKey is CCUSRAGJOVVSMG-UHFFFAOYSA-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.
What are the key properties of methyl 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate?
methyl 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 4-methoxy-1-methyl-5-oxo-4-(2,3,4-trimethoxyoxolan-2-yl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 595058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).