3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid

C16H23NO2 — CID 117013204

IUPAC3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1cccc(C(C)C)c1N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C16H23NO2/c1-11(2)13-7-5-6-12(3)14(13)17-9-8-16(4,10-17)15(18)19/h5-7,11H,8-10H2,1-4H3,(H,18,19)
InChIKeyCVLABQLJYTZQCX-UHFFFAOYSA-N
MW261.37 g/mol
LogP3.42
Rot. Bonds3

About 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid

3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117013204) has the molecular formula C16H23NO2 and a molecular weight of 261.37 g/mol. Its IUPAC name is 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117013204
Molecular FormulaC16H23NO2
Molecular Weight261.37 g/mol
Exact Mass261.17
IUPAC Name3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1cccc(C(C)C)c1N1CCC(C)(C(=O)O)C1
InChIInChI=1S/C16H23NO2/c1-11(2)13-7-5-6-12(3)14(13)17-9-8-16(4,10-17)15(18)19/h5-7,11H,8-10H2,1-4H3,(H,18,19)
InChIKeyCVLABQLJYTZQCX-UHFFFAOYSA-N
XLogP3.42
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-1-(2,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117013202
3-methyl-1-[1-(2-methylphenyl)ethyl]pyrrolidine-3-carboxylic acid
CID 65063976
2-methyl-1-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]propan-1-one
CID 113076400
1-(3-chloro-4-methylphenyl)-3-methylpyrrolidine-3-carboxylic acid
CID 117013215
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 122052448
1-(2-methyl-6-nitrophenyl)-3-propan-2-ylpyrrolidine-3-carboxylic acid
CID 106983105
3-amino-1-(2,6-dimethylphenyl)piperidine-3-carboxylic acid
CID 117011842
3-methyl-1-(3-nitrophenyl)pyrrolidine-3-carboxylic acid
CID 55166924
1-[1-(2-bromophenyl)ethyl]-3-methylpyrrolidine-3-carboxylic acid
CID 65064070
1-(8-bromoquinolin-2-yl)-3-methylpyrrolidine-3-carboxylic acid
CID 122052480
[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 113076408
(2-fluorophenyl)-[4-(2-methyl-6-propan-2-ylphenyl)piperazin-1-yl]methanone
CID 113076410

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid (CID 117013204) is 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid is Cc1cccc(C(C)C)c1N1CCC(C)(C(=O)O)C1.
What is the InChIKey of 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is CVLABQLJYTZQCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO2/c1-11(2)13-7-5-6-12(3)14(13)17-9-8-16(4,10-17)15(18)19/h5-7,11H,8-10H2,1-4H3,(H,18,19).
What are the key properties of 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid?
3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 261.37 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-methyl-6-propan-2-ylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117013204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).