[(2S)-pyrrolidin-2-yl] butanoate

C8H15NO2 — CID 45090958

IUPAC[(2S)-pyrrolidin-2-yl] butanoate
SMILESCCCC(=O)O[C@H]1CCCN1
InChIInChI=1S/C8H15NO2/c1-2-4-8(10)11-7-5-3-6-9-7/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyCYKHFITVGCMPEC-ZETCQYMHSA-N
MW157.21 g/mol
LogP1.04
Rot. Bonds3

About [(2S)-pyrrolidin-2-yl] butanoate

[(2S)-pyrrolidin-2-yl] butanoate (PubChem CID 45090958) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(2S)-pyrrolidin-2-yl] butanoate.

Molecular Properties

Compound Name[(2S)-pyrrolidin-2-yl] butanoate
PubChem CID45090958
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(2S)-pyrrolidin-2-yl] butanoate
SMILESCCCC(=O)O[C@H]1CCCN1
InChIInChI=1S/C8H15NO2/c1-2-4-8(10)11-7-5-3-6-9-7/h7,9H,2-6H2,1H3/t7-/m0/s1
InChIKeyCYKHFITVGCMPEC-ZETCQYMHSA-N
XLogP1.04
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R)-pyrrolidin-2-yl] butanoate
CID 45090959
piperidin-2-yl octadecanoate
CID 54524837
1-pyrrolidin-2-ylbutan-1-one
CID 54066710
[(2R)-pyrrolidin-2-yl] (2R)-pyrrolidine-2-carboxylate
CID 162533154
hexyl pyrrolidin-2-yl carbonate
CID 54505278
copper;cyclohexyl butanoate
CID 67654151
butyl piperidin-2-yl carbonate
CID 54057815
magnesium;cyclohexyl butanoate;hydride
CID 174620917
potassium;cyclohexyl butanoate;hydride
CID 174359508
strontium;cyclohexyl butanoate;hydride
CID 173148532
[(1S,2R)-2-methylcyclohexyl] butanoate
CID 91695904
ethyl 2-piperidin-2-yloxyacetate
CID 68921876

Frequently Asked Questions

What is the IUPAC name of [(2S)-pyrrolidin-2-yl] butanoate?
The IUPAC name of [(2S)-pyrrolidin-2-yl] butanoate (CID 45090958) is [(2S)-pyrrolidin-2-yl] butanoate.
What is the SMILES notation for [(2S)-pyrrolidin-2-yl] butanoate?
The canonical SMILES for [(2S)-pyrrolidin-2-yl] butanoate is CCCC(=O)O[C@H]1CCCN1.
What is the InChIKey of [(2S)-pyrrolidin-2-yl] butanoate?
The InChIKey is CYKHFITVGCMPEC-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-4-8(10)11-7-5-3-6-9-7/h7,9H,2-6H2,1H3/t7-/m0/s1.
What are the key properties of [(2S)-pyrrolidin-2-yl] butanoate?
[(2S)-pyrrolidin-2-yl] butanoate has a molecular weight of 157.21 g/mol, XLogP of 1.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-pyrrolidin-2-yl] butanoate is sourced from PubChem (CID 45090958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).