methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate

C10H17NO4 — CID 11344937

IUPACmethyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CCC1CCCN1C(=O)OC
InChIInChI=1S/C10H17NO4/c1-14-9(12)6-5-8-4-3-7-11(8)10(13)15-2/h8H,3-7H2,1-2H3
InChIKeyXHNPGVJVFPSOBK-UHFFFAOYSA-N
MW215.25 g/mol
LogP1.17
Rot. Bonds3

About methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate

methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate (PubChem CID 11344937) has the molecular formula C10H17NO4 and a molecular weight of 215.25 g/mol. Its IUPAC name is methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
PubChem CID11344937
Molecular FormulaC10H17NO4
Molecular Weight215.25 g/mol
Exact Mass215.12
IUPAC Namemethyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
SMILESCOC(=O)CCC1CCCN1C(=O)OC
InChIInChI=1S/C10H17NO4/c1-14-9(12)6-5-8-4-3-7-11(8)10(13)15-2/h8H,3-7H2,1-2H3
InChIKeyXHNPGVJVFPSOBK-UHFFFAOYSA-N
XLogP1.17
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(5-oxopyrrolidin-2-yl)propanoate
CID 558769
3-((2S)-1-((tert-butoxy)carbonyl)pyrrolidin-2-yl)propanoic acid
CID 10824137
3-[(2R)-1-[(tert-butoxy)carbonyl]pyrrolidin-2-yl]propanoic acid
CID 95732442
Methyl 8-fluoro-9-oxo-9-(pyrrolidin-1-yl)nonanoate
CID 135391088
tert-Butyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 10801136
tert-butyl (2S)-2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 15102601
Tert-butyl 2-(3-ethoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 58574582
Methyl 1-methyl-5-oxopyrrolidine-2-acetate
CID 14587548
Tert-butyl 2-(2-fluoro-3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate
CID 105520007
tert-Butyl (2R,4R)-2-(3-ethoxy-3-oxopropyl)-4-fluoropyrrolidine-1-carboxylate
CID 117927758
tert-Butyl (R)-2-(3-ethoxy-3-oxopropyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 117927762
(S)-tert-butyl 2-(3-ethoxy-3-oxopropyl)-4,4-difluoropyrrolidine-1-carboxylate
CID 118102735

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate (CID 11344937) is methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate is COC(=O)CCC1CCCN1C(=O)OC.
What is the InChIKey of methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
The InChIKey is XHNPGVJVFPSOBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO4/c1-14-9(12)6-5-8-4-3-7-11(8)10(13)15-2/h8H,3-7H2,1-2H3.
What are the key properties of methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate?
methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate has a molecular weight of 215.25 g/mol, XLogP of 1.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-methoxy-3-oxopropyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 11344937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).