methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate

C11H17NO3 — CID 551081

IUPACmethyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CCC1
InChIInChI=1S/C11H17NO3/c1-15-11(14)9-6-3-7-12(9)10(13)8-4-2-5-8/h8-9H,2-7H2,1H3
InChIKeyZZIUOTWXOBCWMT-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.95
Rot. Bonds2

About methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate

methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate (PubChem CID 551081) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate
PubChem CID551081
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Namemethyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)C1CCC1
InChIInChI=1S/C11H17NO3/c1-15-11(14)9-6-3-7-12(9)10(13)8-4-2-5-8/h8-9H,2-7H2,1H3
InChIKeyZZIUOTWXOBCWMT-UHFFFAOYSA-N
XLogP0.95
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate (CID 551081) is methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)C1CCC1.
What is the InChIKey of methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate?
The InChIKey is ZZIUOTWXOBCWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-15-11(14)9-6-3-7-12(9)10(13)8-4-2-5-8/h8-9H,2-7H2,1H3.
What are the key properties of methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate?
methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclobutanecarbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 551081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).