3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid

C15H21NO2 — CID 117013202

IUPAC3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C)c(N2CCC(C)(C(=O)O)C2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-10-7-11(2)13(12(3)8-10)16-6-5-15(4,9-16)14(17)18/h7-8H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyWTPLXCCXCYWHGA-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.91
Rot. Bonds2

About 3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117013202) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117013202
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1cc(C)c(N2CCC(C)(C(=O)O)C2)c(C)c1
InChIInChI=1S/C15H21NO2/c1-10-7-11(2)13(12(3)8-10)16-6-5-15(4,9-16)14(17)18/h7-8H,5-6,9H2,1-4H3,(H,17,18)
InChIKeyWTPLXCCXCYWHGA-UHFFFAOYSA-N
XLogP2.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
CID 117013204
[3-amino-1-(2,4,6-trimethylphenyl)pyrrolidin-3-yl]methanol
CID 117012230
1-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013215
3,3-difluoro-1-(2,4,6-trimethylphenyl)pyrrolidine
CID 117007604
1-[[4-(3,5-dimethylphenyl)phenyl]methyl]-3-methylpyrrolidine-3-carboxylic acid
CID 122046108
1-(4-carbamoyl-3-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 81274508
5-(3-carboxy-3-methylpyrrolidin-1-yl)pyrazine-2-carboxylic acid
CID 122052353
1-(3,5-dimethylbenzoyl)-4-methylpiperidine-4-carboxylic acid
CID 63123254
3-methyl-1-(2-methyl-[1,2,4]triazolo[1,5-b]pyridazin-6-yl)pyrrolidine-3-carboxylic acid
CID 122052349
3,3-difluoro-1-(2,4,6-trimethylphenyl)piperidine
CID 117007689
1-(4-carbamoyl-3-chlorophenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 55165768
1-(2-carbamoylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63147406

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid (CID 117013202) is 3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid is Cc1cc(C)c(N2CCC(C)(C(=O)O)C2)c(C)c1.
What is the InChIKey of 3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is WTPLXCCXCYWHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-7-11(2)13(12(3)8-10)16-6-5-15(4,9-16)14(17)18/h7-8H,5-6,9H2,1-4H3,(H,17,18).
What are the key properties of 3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117013202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).