methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate

C12H19NO4 — CID 164683729

IUPACmethyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1CC1CCCOC1=O
InChIInChI=1S/C12H19NO4/c1-16-12(15)13-6-2-5-10(13)8-9-4-3-7-17-11(9)14/h9-10H,2-8H2,1H3
InChIKeyQOWMSRUKODHYQY-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.56
Rot. Bonds2

About methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate

methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate (PubChem CID 164683729) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate
PubChem CID164683729
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Namemethyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate
SMILESCOC(=O)N1CCCC1CC1CCCOC1=O
InChIInChI=1S/C12H19NO4/c1-16-12(15)13-6-2-5-10(13)8-9-4-3-7-17-11(9)14/h9-10H,2-8H2,1H3
InChIKeyQOWMSRUKODHYQY-UHFFFAOYSA-N
XLogP1.56
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-Ethoxy-4-oxobutan-2-yl)-4,4-difluoropyrrolidine-1-carboxylic acid
CID 172775331
1-Ethoxycarbonylindolizidine
CID 10932403
Tert-butyl 2-(4-ethoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 10755571
Tert-butyl 2-(4-ethoxy-3-methyl-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 10828019
Methyl 2-[(2-oxooxolan-3-yl)methyl]pyrrolidine-1-carboxylate
CID 11183756
Tert-butyl 2-(4-methoxy-4-oxobutan-2-yl)pyrrolidine-1-carboxylate
CID 85374092
Methyl 2-[3-(2-methylpropoxy)-3-oxopropyl]pyrrolidine-1-carboxylate
CID 102021666
Methyl 2-(3-methoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 102021667
dimethyl (2R,4S)-2-(2,2-dimethylpropyl)piperidine-1,4-dicarboxylate
CID 134966511
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
Tert-butyl 2-(3-ethoxy-2-methyl-3-oxopropyl)pyrrolidine-1-carboxylate
CID 135007162

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate (CID 164683729) is methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate is COC(=O)N1CCCC1CC1CCCOC1=O.
What is the InChIKey of methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate?
The InChIKey is QOWMSRUKODHYQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-16-12(15)13-6-2-5-10(13)8-9-4-3-7-17-11(9)14/h9-10H,2-8H2,1H3.
What are the key properties of methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate?
methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate has a molecular weight of 241.29 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxooxan-3-yl)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 164683729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).