3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid

C15H21NO3 — CID 103539211

IUPAC3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
SMILESCOC1CCN(CC(C)(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-15(14(17)18,12-6-4-3-5-7-12)11-16-9-8-13(10-16)19-2/h3-7,13H,8-11H2,1-2H3,(H,17,18)
InChIKeyZGXCVRSXTROCGG-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.75
Rot. Bonds5

About 3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid

3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid (PubChem CID 103539211) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
PubChem CID103539211
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
SMILESCOC1CCN(CC(C)(C(=O)O)c2ccccc2)C1
InChIInChI=1S/C15H21NO3/c1-15(14(17)18,12-6-4-3-5-7-12)11-16-9-8-13(10-16)19-2/h3-7,13H,8-11H2,1-2H3,(H,17,18)
InChIKeyZGXCVRSXTROCGG-UHFFFAOYSA-N
XLogP1.75
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanal
CID 103538767
4-(3-methoxypyrrolidin-1-yl)-2-methyl-4-oxo-2-phenylbutanoic acid
CID 103531272
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
CID 62271359
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62272318
2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100
3-(3-methoxypiperidin-1-yl)-2-methyl-2-phenylpropan-1-ol
CID 102967569
4-(3-methoxypyrrolidin-1-yl)-2-(methylamino)-2-phenylbutanamide
CID 103538046
(3R)-1-benzyl-3-methoxypyrrolidine
CID 157327886
2-(ethylamino)-3-(3-methoxypyrrolidin-1-yl)-2-phenylpropanenitrile
CID 103537792
2-[(3R)-3-methoxypyrrolidin-1-yl]ethyl benzoate
CID 130427918
2-hydroxy-1-(4-methoxypiperidin-1-yl)-2,2-diphenylethanone
CID 110882787
3-(3-methoxypyrrolidin-1-yl)-2,2-dimethylpropan-1-ol
CID 103539225

Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid (CID 103539211) is 3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid is COC1CCN(CC(C)(C(=O)O)c2ccccc2)C1.
What is the InChIKey of 3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid?
The InChIKey is ZGXCVRSXTROCGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-15(14(17)18,12-6-4-3-5-7-12)11-16-9-8-13(10-16)19-2/h3-7,13H,8-11H2,1-2H3,(H,17,18).
What are the key properties of 3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid?
3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid has a molecular weight of 263.34 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 103539211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).