methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate

C11H19NO2 — CID 163224942

IUPACmethyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](C2CCCC2)CN1
InChIInChI=1S/C11H19NO2/c1-14-11(13)10-6-9(7-12-10)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyFYNIBHLUFFOVNB-ZJUUUORDSA-N
MW197.28 g/mol
LogP1.33
Rot. Bonds2

About methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate

methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate (PubChem CID 163224942) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate
PubChem CID163224942
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Namemethyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate
SMILESCOC(=O)[C@@H]1C[C@@H](C2CCCC2)CN1
InChIInChI=1S/C11H19NO2/c1-14-11(13)10-6-9(7-12-10)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1
InChIKeyFYNIBHLUFFOVNB-ZJUUUORDSA-N
XLogP1.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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O-methyl (2S,4R)-4-cyclohexylpyrrolidine-2-carbothioate
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methyl 4-cyclopropylpiperidine-2-carboxylate
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methyl (2S)-aziridine-2-carboxylate
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methyl 4-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-2-carboxylate
CID 117269861
methyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CID 7021050
methyl (2S,4S)-4-methoxypyrrolidine-2-carboxylate
CID 14036209
methyl (2R,4R)-4-hydroxypyrrolidine-2-carboxylate;hydrochloride
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CID 70651228

Frequently Asked Questions

What is the IUPAC name of methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate?
The IUPAC name of methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate (CID 163224942) is methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate.
What is the SMILES notation for methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate?
The canonical SMILES for methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate is COC(=O)[C@@H]1C[C@@H](C2CCCC2)CN1.
What is the InChIKey of methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate?
The InChIKey is FYNIBHLUFFOVNB-ZJUUUORDSA-N. The full InChI is InChI=1S/C11H19NO2/c1-14-11(13)10-6-9(7-12-10)8-4-2-3-5-8/h8-10,12H,2-7H2,1H3/t9-,10+/m1/s1.
What are the key properties of methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate?
methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S,4S)-4-cyclopentylpyrrolidine-2-carboxylate is sourced from PubChem (CID 163224942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).