1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid

C15H21NO2 — CID 102786561

IUPAC1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1ccc(CN2CCC(C)C2C(=O)O)c(C)c1
InChIInChI=1S/C15H21NO2/c1-10-4-5-13(12(3)8-10)9-16-7-6-11(2)14(16)15(17)18/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyDCTVEEVDJFEKOJ-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.60
Rot. Bonds3

About 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid

1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid (PubChem CID 102786561) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
PubChem CID102786561
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
SMILESCc1ccc(CN2CCC(C)C2C(=O)O)c(C)c1
InChIInChI=1S/C15H21NO2/c1-10-4-5-13(12(3)8-10)9-16-7-6-11(2)14(16)15(17)18/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,18)
InChIKeyDCTVEEVDJFEKOJ-UHFFFAOYSA-N
XLogP2.60
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-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-[(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 102786635
1-[(2,4-dimethylphenyl)methyl]azepane-2-carboxylic acid
CID 65069954
2-[(2,4-dimethylphenyl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-3-carboxylic acid
CID 102895977
1-[2-(2,5-dimethylanilino)-2-oxoethyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102785701
3-methyl-1-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102787300
1-[(2-bromo-5-fluorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786063
1-[[2-(methoxymethyl)phenyl]methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786893
1-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786558
1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784435
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 102785835
1-[(2-fluoro-3-nitrophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 107350161
1-[(5-ethylthiophen-2-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784714

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid (CID 102786561) is 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid is Cc1ccc(CN2CCC(C)C2C(=O)O)c(C)c1.
What is the InChIKey of 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
The InChIKey is DCTVEEVDJFEKOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-4-5-13(12(3)8-10)9-16-7-6-11(2)14(16)15(17)18/h4-5,8,11,14H,6-7,9H2,1-3H3,(H,17,18).
What are the key properties of 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid?
1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102786561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).