methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate

C13H21NO5 — CID 20614727

IUPACmethyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
SMILESCOC(=O)CCC1(CCC(=O)OC)CCC(=O)N1C
InChIInChI=1S/C13H21NO5/c1-14-10(15)4-7-13(14,8-5-11(16)18-2)9-6-12(17)19-3/h4-9H2,1-3H3
InChIKeySABWWVBOUYBRQG-UHFFFAOYSA-N
MW271.31 g/mol
LogP0.88
Rot. Bonds6

About methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate

methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate (PubChem CID 20614727) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
PubChem CID20614727
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Namemethyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate
SMILESCOC(=O)CCC1(CCC(=O)OC)CCC(=O)N1C
InChIInChI=1S/C13H21NO5/c1-14-10(15)4-7-13(14,8-5-11(16)18-2)9-6-12(17)19-3/h4-9H2,1-3H3
InChIKeySABWWVBOUYBRQG-UHFFFAOYSA-N
XLogP0.88
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 50.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-1-[(tert-butoxy)carbonyl]-2-methylpyrrolidin-2-yl]propanoic acid
CID 137951746
2,2-Pyrrolidinedipropanoic acid, 5-oxo-, dimethyl ester
CID 11253889
Tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 10755571
Dimethyl 2-(1-methoxycarbonylpyrrolidin-2-yl)butanedioate
CID 11219528
Methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 11344937
Tert-butyl 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 85374092
Methyl 2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 102021667
Tert-butyl 2-(4-methoxy-3-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 135005843
Tert-butyl 2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 135006140
Methyl 2-[2-methyl-3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate
CID 164683858
Pyrrol-2-one-5-propionic acid, N-methyl, methyl ester
CID 566781
Diethyl 3,3'-(5-oxopyrrolidine-2,2-diyl)dipropanoate
CID 13306703

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate?
The IUPAC name of methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate (CID 20614727) is methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate.
What is the SMILES notation for methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate?
The canonical SMILES for methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate is COC(=O)CCC1(CCC(=O)OC)CCC(=O)N1C.
What is the InChIKey of methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate?
The InChIKey is SABWWVBOUYBRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO5/c1-14-10(15)4-7-13(14,8-5-11(16)18-2)9-6-12(17)19-3/h4-9H2,1-3H3.
What are the key properties of methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate?
methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate has a molecular weight of 271.31 g/mol, XLogP of 0.88, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-(3-methoxy-3-oxopropyl)-1-methyl-5-oxopyrrolidin-2-yl]propanoate is sourced from PubChem (CID 20614727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).