2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid

C15H21NO2 — CID 83220867

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid
SMILESCCC1CCC(C)N1C(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-13-10-9-11(2)16(13)14(15(17)18)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyHLHZOOMDJJTFBO-UHFFFAOYSA-N
MW247.34 g/mol
LogP3.08
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid

2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid (PubChem CID 83220867) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid
PubChem CID83220867
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid
SMILESCCC1CCC(C)N1C(C(=O)O)c1ccccc1
InChIInChI=1S/C15H21NO2/c1-3-13-10-9-11(2)16(13)14(15(17)18)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H,17,18)
InChIKeyHLHZOOMDJJTFBO-UHFFFAOYSA-N
XLogP3.08
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-phenylbutan-1-one
CID 83219274
2-(2-ethyl-5-methylpyrrolidin-1-yl)-N-methyl-1-phenylpropan-1-amine
CID 83227177
2-(2-ethyl-5-methylpyrrolidin-1-yl)butanoic acid
CID 83219071
(2R)-2-(dimethylamino)-1-[(2R,5R)-2-ethyl-5-methylpyrrolidin-1-yl]-2-phenylethanone
CID 89477379
3-amino-1-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropan-1-one
CID 83227880
2-(4-methylpiperidin-1-yl)-2-phenylacetic acid chloride
CID 53350421
(2R)-2-[(2R)-2-methylpiperidin-1-yl]-2-phenylacetic acid
CID 1091381
phenyl 2-ethyl-5-methylpyrrolidine-1-carboxylate
CID 83153077
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
2-phenyl-2-(3-propylazetidin-1-yl)acetic acid
CID 79687022
3-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylpropanenitrile
CID 83228008
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-(2-methylphenyl)ethanamine
CID 83228040

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid (CID 83220867) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid is CCC1CCC(C)N1C(C(=O)O)c1ccccc1.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid?
The InChIKey is HLHZOOMDJJTFBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-3-13-10-9-11(2)16(13)14(15(17)18)12-7-5-4-6-8-12/h4-8,11,13-14H,3,9-10H2,1-2H3,(H,17,18).
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid has a molecular weight of 247.34 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-2-phenylacetic acid is sourced from PubChem (CID 83220867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).