2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate

C11H19NO2 — CID 106202899

IUPAC2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
SMILESO=C(OCCC1CCC1)[C@@H]1CCCN1
InChIInChI=1S/C11H19NO2/c13-11(10-5-2-7-12-10)14-8-6-9-3-1-4-9/h9-10,12H,1-8H2/t10-/m0/s1
InChIKeyUJRJFNQDENVJQR-JTQLQIEISA-N
MW197.28 g/mol
LogP1.47
Rot. Bonds4

About 2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate

2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate (PubChem CID 106202899) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate.

Molecular Properties

Compound Name2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
PubChem CID106202899
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Name2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate
SMILESO=C(OCCC1CCC1)[C@@H]1CCCN1
InChIInChI=1S/C11H19NO2/c13-11(10-5-2-7-12-10)14-8-6-9-3-1-4-9/h9-10,12H,1-8H2/t10-/m0/s1
InChIKeyUJRJFNQDENVJQR-JTQLQIEISA-N
XLogP1.47
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclobutylethyl (2S)-piperidine-2-carboxylate
CID 106202846
2-cyclopropylethyl (2R)-pyrrolidine-2-carboxylate
CID 106202472
2-cyclopropylethyl (2S)-pyrrolidine-2-carboxylate
CID 106202565
2-aminoethyl pyrrolidine-2-carboxylate
CID 91476138
2-[(2-methylpropan-2-yl)oxy]ethyl (2R)-pyrrolidine-2-carboxylate
CID 103939543
2-[(2-methylpropan-2-yl)oxy]ethyl (2S)-pyrrolidine-2-carboxylate
CID 103939547
2-trimethylsilylethyl (2S)-pyrrolidine-2-carboxylate
CID 15338392
chloromethyl pyrrolidine-2-carboxylate
CID 68787302
propyl piperidine-2-carboxylate
CID 43248024
heptyl pyrrolidine-2-carboxylate
CID 14777077
3-aminopropyl piperidine-2-carboxylate
CID 71376838
3-(2-methoxyethoxy)propyl pyrrolidine-2-carboxylate
CID 103403172

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate?
The IUPAC name of 2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate (CID 106202899) is 2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate.
What is the SMILES notation for 2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate?
The canonical SMILES for 2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate is O=C(OCCC1CCC1)[C@@H]1CCCN1.
What is the InChIKey of 2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate?
The InChIKey is UJRJFNQDENVJQR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H19NO2/c13-11(10-5-2-7-12-10)14-8-6-9-3-1-4-9/h9-10,12H,1-8H2/t10-/m0/s1.
What are the key properties of 2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate?
2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutylethyl (2S)-pyrrolidine-2-carboxylate is sourced from PubChem (CID 106202899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).