methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate

C14H19NO3 — CID 117095058

IUPACmethyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(OC2CCNC2)cc1
InChIInChI=1S/C14H19NO3/c1-17-14(16)7-4-11-2-5-12(6-3-11)18-13-8-9-15-10-13/h2-3,5-6,13,15H,4,7-10H2,1H3
InChIKeyQHFFICGWTKYLMA-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.53
Rot. Bonds5

About methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate

methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate (PubChem CID 117095058) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate
PubChem CID117095058
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Namemethyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate
SMILESCOC(=O)CCc1ccc(OC2CCNC2)cc1
InChIInChI=1S/C14H19NO3/c1-17-14(16)7-4-11-2-5-12(6-3-11)18-13-8-9-15-10-13/h2-3,5-6,13,15H,4,7-10H2,1H3
InChIKeyQHFFICGWTKYLMA-UHFFFAOYSA-N
XLogP1.53
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-[4-(azepan-4-yloxy)phenyl]propanoate
CID 117095090
methyl 3-(3-piperidin-4-yloxyphenyl)propanoate
CID 144899460
2-(4-pyrrolidin-3-yloxyphenyl)acetohydrazide
CID 144892065
3-(4-piperidin-4-yloxyphenyl)propanoic acid;hydrochloride
CID 68915059
N-[4-[(3S)-pyrrolidin-3-yl]oxyphenyl]acetamide
CID 86322818
methyl 3-[4-[4-(3-methoxy-3-oxopropyl)phenoxy]phenyl]propanoate
CID 12706785
3-(4-methylphenoxy)pyrrolidine
CID 18337173
methyl 3-[4-(N-methyl-4-piperidin-4-ylanilino)phenyl]propanoate
CID 67844835
1-(4-cyclopropyloxyphenyl)-4-methylpentan-3-one
CID 114520119
2-[4-(azetidin-3-yloxy)phenyl]ethanol
CID 107708914
methyl 4-piperidin-3-yloxybenzoate
CID 53410618
methyl 3-[3-(pyrrolidin-3-ylmethoxy)phenyl]propanoate
CID 144899288

Frequently Asked Questions

What is the IUPAC name of methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate?
The IUPAC name of methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate (CID 117095058) is methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate.
What is the SMILES notation for methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate?
The canonical SMILES for methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate is COC(=O)CCc1ccc(OC2CCNC2)cc1.
What is the InChIKey of methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate?
The InChIKey is QHFFICGWTKYLMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-17-14(16)7-4-11-2-5-12(6-3-11)18-13-8-9-15-10-13/h2-3,5-6,13,15H,4,7-10H2,1H3.
What are the key properties of methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate?
methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate has a molecular weight of 249.31 g/mol, XLogP of 1.53, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4-pyrrolidin-3-yloxyphenyl)propanoate is sourced from PubChem (CID 117095058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).