methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate

C15H21NO3 — CID 144899288

IUPACmethyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
SMILESCOC(=O)CCc1cccc(OCC2CCNC2)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)6-5-12-3-2-4-14(9-12)19-11-13-7-8-16-10-13/h2-4,9,13,16H,5-8,10-11H2,1H3
InChIKeyQWKYGLQERVLTMC-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.78
Rot. Bonds6

About methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate

methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate (PubChem CID 144899288) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate.

Molecular Properties

Compound Namemethyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
PubChem CID144899288
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Namemethyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
SMILESCOC(=O)CCc1cccc(OCC2CCNC2)c1
InChIInChI=1S/C15H21NO3/c1-18-15(17)6-5-12-3-2-4-14(9-12)19-11-13-7-8-16-10-13/h2-4,9,13,16H,5-8,10-11H2,1H3
InChIKeyQWKYGLQERVLTMC-UHFFFAOYSA-N
XLogP1.78
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate?
The IUPAC name of methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate (CID 144899288) is methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate.
What is the SMILES notation for methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate?
The canonical SMILES for methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate is COC(=O)CCc1cccc(OCC2CCNC2)c1.
What is the InChIKey of methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate?
The InChIKey is QWKYGLQERVLTMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-18-15(17)6-5-12-3-2-4-14(9-12)19-11-13-7-8-16-10-13/h2-4,9,13,16H,5-8,10-11H2,1H3.
What are the key properties of methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate?
methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate has a molecular weight of 263.34 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate is sourced from PubChem (CID 144899288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).