1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid

C15H21NO2 — CID 4203254

IUPAC1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C)c(C(C)N2CCCC2C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-10-6-7-11(2)13(9-10)12(3)16-8-4-5-14(16)15(17)18/h6-7,9,12,14H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyBZYATHSXOVWNCR-UHFFFAOYSA-N
MW247.34 g/mol
LogP2.91
Rot. Bonds3

About 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid

1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 4203254) has the molecular formula C15H21NO2 and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID4203254
Molecular FormulaC15H21NO2
Molecular Weight247.34 g/mol
Exact Mass247.16
IUPAC Name1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C)c(C(C)N2CCCC2C(=O)O)c1
InChIInChI=1S/C15H21NO2/c1-10-6-7-11(2)13(9-10)12(3)16-8-4-5-14(16)15(17)18/h6-7,9,12,14H,4-5,8H2,1-3H3,(H,17,18)
InChIKeyBZYATHSXOVWNCR-UHFFFAOYSA-N
XLogP2.91
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 ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-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

[1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidin-2-yl]methanamine
CID 115311550
1-[1-(2,4-dimethylphenyl)propyl]pyrrolidine-2-carboxylic acid
CID 3658896
1-[(2,5-dimethylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid
CID 4009296
(2S)-1-[1-(2,5-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 110838450
1-[1-(2,4-difluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 3931904
1-[(5-bromothiophen-2-yl)-(2,5-dimethylphenyl)methyl]piperidine-2-carboxylic acid
CID 4032833
1-[1-(2-chloro-4-fluorophenyl)ethyl]pyrrolidine-2-carboxylic acid
CID 65056523
1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 3942508
1-[1-(5-methylthiophen-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 3972842
1-[(2,4-dimethylphenyl)-(furan-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3876108
(2S)-1-(5-methyl-2-propan-2-ylphenyl)pyrrolidine-2-carboxylic acid
CID 175762753
1-[(3,4-dichlorophenyl)-(2,4-dimethylphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3908923

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid (CID 4203254) is 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid is Cc1ccc(C)c(C(C)N2CCCC2C(=O)O)c1.
What is the InChIKey of 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is BZYATHSXOVWNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO2/c1-10-6-7-11(2)13(9-10)12(3)16-8-4-5-14(16)15(17)18/h6-7,9,12,14H,4-5,8H2,1-3H3,(H,17,18).
What are the key properties of 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid?
1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 247.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,5-dimethylphenyl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 4203254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).