[(3R)-pyrrolidin-3-yl] butanoate

C8H15NO2 — CID 15399762

IUPAC[(3R)-pyrrolidin-3-yl] butanoate
SMILESCCCC(=O)O[C@@H]1CCNC1
InChIInChI=1S/C8H15NO2/c1-2-3-8(10)11-7-4-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyAMBFAHQJLWMXNZ-SSDOTTSWSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds3

About [(3R)-pyrrolidin-3-yl] butanoate

[(3R)-pyrrolidin-3-yl] butanoate (PubChem CID 15399762) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is [(3R)-pyrrolidin-3-yl] butanoate.

Molecular Properties

Compound Name[(3R)-pyrrolidin-3-yl] butanoate
PubChem CID15399762
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name[(3R)-pyrrolidin-3-yl] butanoate
SMILESCCCC(=O)O[C@@H]1CCNC1
InChIInChI=1S/C8H15NO2/c1-2-3-8(10)11-7-4-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m1/s1
InChIKeyAMBFAHQJLWMXNZ-SSDOTTSWSA-N
XLogP0.69
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 ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Ethyl pyrrolidone acetate
CID 122691995
[(3S,4S)-4-acetyloxypyrrolidin-3-yl] acetate
CID 71680569
[(3S,4S)-4-fluoropyrrolidin-3-yl] acetate
CID 155300424
[(3S,4R)-4-fluoropyrrolidin-3-yl] acetate
CID 162428943
[(3R,4R)-4-acetyloxypyrrolidin-3-yl] acetate
CID 71718864
[(3R)-1-methylpyrrolidin-3-yl] butanoate
CID 10130169
[(3S)-1-methylpyrrolidin-3-yl] butanoate
CID 10130170
acetic acid (S)-pyrrolidin-3-yl ester
CID 15046661
Pyrrolidin-3-yl acetate
CID 15046662
(3R)-pyrrolidin-3-yl acetate
CID 15046663
Pyrrolidin-3-yl butanoate
CID 15399763
Pyrrolidin-3-yl butanoate;hydrochloride
CID 19596759

Frequently Asked Questions

What is the IUPAC name of [(3R)-pyrrolidin-3-yl] butanoate?
The IUPAC name of [(3R)-pyrrolidin-3-yl] butanoate (CID 15399762) is [(3R)-pyrrolidin-3-yl] butanoate.
What is the SMILES notation for [(3R)-pyrrolidin-3-yl] butanoate?
The canonical SMILES for [(3R)-pyrrolidin-3-yl] butanoate is CCCC(=O)O[C@@H]1CCNC1.
What is the InChIKey of [(3R)-pyrrolidin-3-yl] butanoate?
The InChIKey is AMBFAHQJLWMXNZ-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15NO2/c1-2-3-8(10)11-7-4-5-9-6-7/h7,9H,2-6H2,1H3/t7-/m1/s1.
What are the key properties of [(3R)-pyrrolidin-3-yl] butanoate?
[(3R)-pyrrolidin-3-yl] butanoate has a molecular weight of 157.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-pyrrolidin-3-yl] butanoate is sourced from PubChem (CID 15399762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).