3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid

C17H25NO2 — CID 83221625

IUPAC3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
SMILESCCC1CCC(C)N1CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-4-15-11-10-13(2)18(15)12-17(3,16(19)20)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,19,20)
InChIKeyFACALCWFHXGTPZ-UHFFFAOYSA-N
MW275.39 g/mol
LogP3.29
Rot. Bonds5

About 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid

3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid (PubChem CID 83221625) has the molecular formula C17H25NO2 and a molecular weight of 275.39 g/mol. Its IUPAC name is 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
PubChem CID83221625
Molecular FormulaC17H25NO2
Molecular Weight275.39 g/mol
Exact Mass275.19
IUPAC Name3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid
SMILESCCC1CCC(C)N1CC(C)(C(=O)O)c1ccccc1
InChIInChI=1S/C17H25NO2/c1-4-15-11-10-13(2)18(15)12-17(3,16(19)20)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,19,20)
InChIKeyFACALCWFHXGTPZ-UHFFFAOYSA-N
XLogP3.29
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.39
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropanamide
CID 83220952
2-methyl-3-(3-methylpiperidin-1-yl)-2-phenylpropanoic acid
CID 62271359
2-methyl-2-phenyl-3-(2-propylpiperidin-1-yl)propanoic acid
CID 83046324
3-[4-(dimethylamino)piperidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62272318
2-amino-4-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylbutanoic acid
CID 83221596
3-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-2-methyl-2-phenylpropanoic acid
CID 62887647
1-amino-3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropan-2-ol
CID 83224284
2-methyl-3-(4-methylpiperazin-1-yl)-2-phenylpropanoic acid
CID 62270100
benzyl 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methylpropanoate
CID 106484384
phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate
CID 83153077
1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83220282
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 83220278

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid?
The IUPAC name of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid (CID 83221625) is 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid.
What is the SMILES notation for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid?
The canonical SMILES for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid is CCC1CCC(C)N1CC(C)(C(=O)O)c1ccccc1.
What is the InChIKey of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid?
The InChIKey is FACALCWFHXGTPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO2/c1-4-15-11-10-13(2)18(15)12-17(3,16(19)20)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3,(H,19,20).
What are the key properties of 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid?
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid has a molecular weight of 275.39 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-methyl-2-phenylpropanoic acid is sourced from PubChem (CID 83221625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).