2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid

C15H21NO3 — CID 117238296

IUPAC2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid
SMILESCCN1CCC(C(COc2ccccc2)C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-2-16-9-8-12(10-16)14(15(17)18)11-19-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,18)
InChIKeyGXDYSAKMRKAEKN-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.11
Rot. Bonds6

About 2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid

2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid (PubChem CID 117238296) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid.

Molecular Properties

Compound Name2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid
PubChem CID117238296
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid
SMILESCCN1CCC(C(COc2ccccc2)C(=O)O)C1
InChIInChI=1S/C15H21NO3/c1-2-16-9-8-12(10-16)14(15(17)18)11-19-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,18)
InChIKeyGXDYSAKMRKAEKN-UHFFFAOYSA-N
XLogP2.11
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethylpiperidin-4-yl)-3-(4-hydroxyphenoxy)propanoic acid
CID 117239836
2-(1-ethylpiperidin-4-yl)-3-(3-methoxyphenoxy)propanoic acid
CID 117239780
2-(1,1-dioxothian-4-yl)-3-phenoxypropanoic acid
CID 117239668
2-(4-chlorophenoxy)-1-(1-ethylpyrrolidin-3-yl)ethanol
CID 117237487
3-(2-methoxyphenoxy)-2-(1-propan-2-ylpyrrolidin-3-yl)propanoic acid
CID 117238314
1-[(1-ethylpiperidin-4-yl)-methylamino]-3-phenoxypropan-2-ol
CID 111106340
1-[4-(1-hydroxyethyl)piperidin-1-yl]-3-phenoxypropan-2-ol
CID 111113995
2-cyclobutyl-3-(3-methylphenoxy)propanoic acid
CID 117245719
(1-ethylpiperidin-3-yl) 2,2-diphenylacetate;hydrobromide
CID 67518430
2-cyclohexyl-3-(3-methylphenoxy)propanoic acid
CID 117246044
2-(1-ethylpyrrolidin-3-yl)-3-(4-methoxyphenoxy)propan-1-amine
CID 117237996
(2R)-2-hydroxy-2-[1-[(2R)-2-hydroxy-3-phenoxypropyl]piperidin-4-yl]acetamide
CID 129490089

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid?
The IUPAC name of 2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid (CID 117238296) is 2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid.
What is the SMILES notation for 2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid?
The canonical SMILES for 2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid is CCN1CCC(C(COc2ccccc2)C(=O)O)C1.
What is the InChIKey of 2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid?
The InChIKey is GXDYSAKMRKAEKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-2-16-9-8-12(10-16)14(15(17)18)11-19-13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,17,18).
What are the key properties of 2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid?
2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 2.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrrolidin-3-yl)-3-phenoxypropanoic acid is sourced from PubChem (CID 117238296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).