methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate

C14H19NO4 — CID 117053759

IUPACmethyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OC)c(OCC2CCNC2)c1
InChIInChI=1S/C14H19NO4/c1-17-12-4-3-11(14(16)18-2)7-13(12)19-9-10-5-6-15-8-10/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyZQHXDXXULVTBBV-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.47
Rot. Bonds5

About methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate

methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate (PubChem CID 117053759) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
PubChem CID117053759
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Namemethyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate
SMILESCOC(=O)c1ccc(OC)c(OCC2CCNC2)c1
InChIInChI=1S/C14H19NO4/c1-17-12-4-3-11(14(16)18-2)7-13(12)19-9-10-5-6-15-8-10/h3-4,7,10,15H,5-6,8-9H2,1-2H3
InChIKeyZQHXDXXULVTBBV-UHFFFAOYSA-N
XLogP1.47
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-(piperidin-3-ylmethoxy)benzoic acid
CID 117053837
4-methoxy-3-(piperidin-4-ylmethoxy)benzoic acid
CID 117053831
dimethyl 5-[[(3S)-pyrrolidin-3-yl]methoxy]benzene-1,3-dicarboxylate
CID 165437442
methyl 3-(pyrrolidin-3-ylmethoxy)benzoate;hydrochloride
CID 56830232
3-[(2-methoxyphenoxy)methyl]pyrrolidine;hydrochloride
CID 56830113
methyl 2-[[(3S)-pyrrolidin-3-yl]methoxy]benzoate
CID 86320528
3-methoxy-4-(piperidin-4-ylmethoxy)benzoic acid
CID 117053439
methyl 4-[[(3R)-pyrrolidin-3-yl]methoxymethyl]benzoate
CID 86321712
methyl 3-methoxy-4-(oxolan-3-ylmethoxy)benzoate
CID 117053362
methyl 4-methoxy-3-piperidin-4-ylbenzoate
CID 139793069
3-[(2,5-dibromo-4-methoxyphenoxy)methyl]pyrrolidine
CID 79403216
N-methyl-3-nitro-4-(pyrrolidin-3-ylmethoxy)benzamide
CID 82999537

Frequently Asked Questions

What is the IUPAC name of methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate?
The IUPAC name of methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate (CID 117053759) is methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate.
What is the SMILES notation for methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate?
The canonical SMILES for methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate is COC(=O)c1ccc(OC)c(OCC2CCNC2)c1.
What is the InChIKey of methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate?
The InChIKey is ZQHXDXXULVTBBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-12-4-3-11(14(16)18-2)7-13(12)19-9-10-5-6-15-8-10/h3-4,7,10,15H,5-6,8-9H2,1-2H3.
What are the key properties of methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate?
methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate has a molecular weight of 265.31 g/mol, XLogP of 1.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methoxy-3-(pyrrolidin-3-ylmethoxy)benzoate is sourced from PubChem (CID 117053759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).