methyl 3-pyrrolidin-3-yloxypropanoate

C8H15NO3 — CID 56831307

IUPACmethyl 3-pyrrolidin-3-yloxypropanoate
SMILESCOC(=O)CCOC1CCNC1
InChIInChI=1S/C8H15NO3/c1-11-8(10)3-5-12-7-2-4-9-6-7/h7,9H,2-6H2,1H3
InChIKeyILOMLUMPPMCOMS-UHFFFAOYSA-N
MW173.21 g/mol
LogP-0.07
Rot. Bonds4

About methyl 3-pyrrolidin-3-yloxypropanoate

methyl 3-pyrrolidin-3-yloxypropanoate (PubChem CID 56831307) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is methyl 3-pyrrolidin-3-yloxypropanoate.

Molecular Properties

Compound Namemethyl 3-pyrrolidin-3-yloxypropanoate
PubChem CID56831307
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Namemethyl 3-pyrrolidin-3-yloxypropanoate
SMILESCOC(=O)CCOC1CCNC1
InChIInChI=1S/C8H15NO3/c1-11-8(10)3-5-12-7-2-4-9-6-7/h7,9H,2-6H2,1H3
InChIKeyILOMLUMPPMCOMS-UHFFFAOYSA-N
XLogP-0.07
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Hydroxy-3,4-dihydro-2H-pyrrol-3-yl acetate
CID 12365590
[(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
[(3S)-5-oxopyrrolidin-3-yl] acetate
CID 126551320
Oxazolidiniumylacetat
CID 129890532
[(3R,4R)-4-acetyloxypyrrolidin-3-yl] acetate
CID 71718864
Ethyl 2-methyl-1,3-oxazolidine-2-acetate
CID 565864
[(3R)-5-oxopyrrolidin-3-yl] acetate
CID 10441804
acetic acid (S)-pyrrolidin-3-yl ester
CID 15046661
Pyrrolidin-3-yl acetate
CID 15046662
(3R)-pyrrolidin-3-yl acetate
CID 15046663

Frequently Asked Questions

What is the IUPAC name of methyl 3-pyrrolidin-3-yloxypropanoate?
The IUPAC name of methyl 3-pyrrolidin-3-yloxypropanoate (CID 56831307) is methyl 3-pyrrolidin-3-yloxypropanoate.
What is the SMILES notation for methyl 3-pyrrolidin-3-yloxypropanoate?
The canonical SMILES for methyl 3-pyrrolidin-3-yloxypropanoate is COC(=O)CCOC1CCNC1.
What is the InChIKey of methyl 3-pyrrolidin-3-yloxypropanoate?
The InChIKey is ILOMLUMPPMCOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c1-11-8(10)3-5-12-7-2-4-9-6-7/h7,9H,2-6H2,1H3.
What are the key properties of methyl 3-pyrrolidin-3-yloxypropanoate?
methyl 3-pyrrolidin-3-yloxypropanoate has a molecular weight of 173.21 g/mol, XLogP of -0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyrrolidin-3-yloxypropanoate is sourced from PubChem (CID 56831307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).