1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate

C16H23NO4 — CID 3781390

IUPAC1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OC(C)CN2CCCC2)cc1
InChIInChI=1S/C16H23NO4/c1-13(11-17-9-3-4-10-17)21-16(18)12-20-15-7-5-14(19-2)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyFMDGVXCYNVORGD-UHFFFAOYSA-N
MW293.36 g/mol
LogP2.10
Rot. Bonds7

About 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate

1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate (PubChem CID 3781390) has the molecular formula C16H23NO4 and a molecular weight of 293.36 g/mol. Its IUPAC name is 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate.

Molecular Properties

Compound Name1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate
PubChem CID3781390
Molecular FormulaC16H23NO4
Molecular Weight293.36 g/mol
Exact Mass293.16
IUPAC Name1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate
SMILESCOc1ccc(OCC(=O)OC(C)CN2CCCC2)cc1
InChIInChI=1S/C16H23NO4/c1-13(11-17-9-3-4-10-17)21-16(18)12-20-15-7-5-14(19-2)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3
InChIKeyFMDGVXCYNVORGD-UHFFFAOYSA-N
XLogP2.10
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.36
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-piperidin-1-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 2928612
1-piperidin-1-ylpropan-2-yl 2-(4-chlorophenoxy)acetate chloride
CID 53351977
hydron;1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenyl)acetate;chloride
CID 646573
[(2R)-1-pyrrolidin-1-ylpropan-2-yl] 4-methoxybenzoate
CID 848692
1-(4-methylpiperazin-1-yl)propan-2-yl 2-(4-tert-butylphenoxy)acetate
CID 3521789
1-morpholin-4-ylpropan-2-yl 2-(4-fluorophenoxy)acetate
CID 649208
(4-ethoxyphenyl)-[(2S)-1-piperidin-1-ylpropan-2-yl]oxycarbonylazanium
CID 102464332
[(2S)-1-(4-methylpiperazin-1-yl)propan-2-yl] 2-(3-methylphenoxy)acetate
CID 937223
1-morpholin-4-ylpropan-2-yl 4-methoxybenzoate chloride
CID 53352536
3-(azepan-1-yl)-2-(4-methoxyphenyl)propanoic acid
CID 117245121
[(2S)-1-pyrrolidin-1-ylpropan-2-yl] 3,4,5-trimethoxybenzoate
CID 937091
2,4-bis(azepan-1-ylmethyl)-1,5-bis(4-methoxyphenyl)pentane-1,5-dione;dihydrochloride
CID 3064490

Frequently Asked Questions

What is the IUPAC name of 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate?
The IUPAC name of 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate (CID 3781390) is 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate.
What is the SMILES notation for 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate?
The canonical SMILES for 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate is COc1ccc(OCC(=O)OC(C)CN2CCCC2)cc1.
What is the InChIKey of 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate?
The InChIKey is FMDGVXCYNVORGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO4/c1-13(11-17-9-3-4-10-17)21-16(18)12-20-15-7-5-14(19-2)6-8-15/h5-8,13H,3-4,9-12H2,1-2H3.
What are the key properties of 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate?
1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate has a molecular weight of 293.36 g/mol, XLogP of 2.10, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrrolidin-1-ylpropan-2-yl 2-(4-methoxyphenoxy)acetate is sourced from PubChem (CID 3781390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).