1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid

C13H17NO2 — CID 83837174

IUPAC1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)C1(C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(10-6-4-3-5-7-10)11(12(15)16)8-9-14(13)2/h3-7,11H,8-9H2,1-2H3,(H,15,16)
InChIKeyUOSYXRRAMBZYPB-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.94
Rot. Bonds2

About 1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid

1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid (PubChem CID 83837174) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is 1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid
PubChem CID83837174
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid
SMILESCN1CCC(C(=O)O)C1(C)c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(10-6-4-3-5-7-10)11(12(15)16)8-9-14(13)2/h3-7,11H,8-9H2,1-2H3,(H,15,16)
InChIKeyUOSYXRRAMBZYPB-UHFFFAOYSA-N
XLogP1.94
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(furan-2-yl)-1,2-dimethylpyrrolidine-3-carboxylic acid
CID 112710161
cis-(1S,2R)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252590
cis-(1R,2S)-2-methyl-2-phenylcyclopropane-1-carboxylic acid
CID 94252591
(3S,4R)-2,3-dimethyl-1-oxo-3-phenyl-4H-isoquinoline-4-carboxylic acid
CID 101416255
2,2-dimethyl-1-(2-phenylethyl)piperidine-3-carboxylic acid
CID 117019433
4-methyl-4-phenylpyrrolidine-3-carboxylic acid
CID 63940767
1-(3-fluorophenyl)-2,2-dimethylpyrrolidine-3-carboxylic acid
CID 117017317
(2R)-1,2-dimethyl-2-phenylaziridine
CID 102030003
1-hydroxy-2,6-dimethyl-2,6-diphenylpiperidine-4-carboxylic acid
CID 22340196
1-methyl-2,2-diphenylpiperidin-4-amine
CID 18431540
cis-(1R,2S)-2-hydroxy-2-phenylcyclohexane-1-carboxylic acid
CID 14915548
2,2-dimethyl-1-(1-phenylethyl)piperidine-3-carboxylic acid
CID 117019429

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid (CID 83837174) is 1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid is CN1CCC(C(=O)O)C1(C)c1ccccc1.
What is the InChIKey of 1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid?
The InChIKey is UOSYXRRAMBZYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(10-6-4-3-5-7-10)11(12(15)16)8-9-14(13)2/h3-7,11H,8-9H2,1-2H3,(H,15,16).
What are the key properties of 1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid?
1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid has a molecular weight of 219.28 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-2-phenylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83837174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).