ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate

C11H19NO2 — CID 155904778

IUPACethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CNC[C@@H]1C1CCC1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)10-7-12-6-9(10)8-4-3-5-8/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyDLDGUFJRLRGVBP-ZJUUUORDSA-N
MW197.28 g/mol
LogP1.19
Rot. Bonds3

About ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate

ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate (PubChem CID 155904778) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate
PubChem CID155904778
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1CNC[C@@H]1C1CCC1
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)10-7-12-6-9(10)8-4-3-5-8/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyDLDGUFJRLRGVBP-ZJUUUORDSA-N
XLogP1.19
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl (3R,4S)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131850205
ethyl (3S,4R)-4-cyclopropylpyrrolidine-3-carboxylate
CID 131632236
ethyl 4-(4-tert-butylcyclohexyl)pyrrolidine-3-carboxylate
CID 114486732
3-O-ethyl 4-O-methyl pyrrolidine-3,4-dicarboxylate
CID 141137561
ethyl (3R,4R)-4-methylpyrrolidine-3-carboxylate
CID 94411103
ethyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]azetidin-3-yl]pyrrolidine-3-carboxylate
CID 71305550
ethyl (3R,4S)-4-ethylpyrrolidine-3-carboxylate
CID 91664549
methyl (3R,4R)-4-cyclopropylpyrrolidine-3-carboxylate;hydrochloride
CID 155905262
ethyl (3R,4R)-4-methoxypyrrolidine-3-carboxylate
CID 167739334
4-cycloheptylpyrrolidine-3-carboxamide
CID 114487061
methyl 2,3,4,4a,5,6,7,7a-octahydro-1H-cyclopenta[c]pyridine-4-carboxylate
CID 84659219
ethyl 2-methylcyclopentane-1-carboxylate
CID 10844634

Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate?
The IUPAC name of ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate (CID 155904778) is ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate?
The canonical SMILES for ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate is CCOC(=O)[C@H]1CNC[C@@H]1C1CCC1.
What is the InChIKey of ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate?
The InChIKey is DLDGUFJRLRGVBP-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-11(13)10-7-12-6-9(10)8-4-3-5-8/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate?
ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4R)-4-cyclobutylpyrrolidine-3-carboxylate is sourced from PubChem (CID 155904778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).