5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid

C14H19NO3 — CID 117376089

IUPAC5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1c(C)ccc(C)c1C1CC(C(=O)O)CN1
InChIInChI=1S/C14H19NO3/c1-8-4-5-9(2)13(18-3)12(8)11-6-10(7-15-11)14(16)17/h4-5,10-11,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyJPAFZLWZKJHENR-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.05
Rot. Bonds3

About 5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid

5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 117376089) has the molecular formula C14H19NO3 and a molecular weight of 249.31 g/mol. Its IUPAC name is 5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID117376089
Molecular FormulaC14H19NO3
Molecular Weight249.31 g/mol
Exact Mass249.14
IUPAC Name5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1c(C)ccc(C)c1C1CC(C(=O)O)CN1
InChIInChI=1S/C14H19NO3/c1-8-4-5-9(2)13(18-3)12(8)11-6-10(7-15-11)14(16)17/h4-5,10-11,15H,6-7H2,1-3H3,(H,16,17)
InChIKeyJPAFZLWZKJHENR-UHFFFAOYSA-N
XLogP2.05
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(2-methoxy-3,6-dimethylphenyl)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

5-(6-fluoro-2-methoxy-3-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117385648
5-(3-chloro-2-methoxy-4,6-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117456035
5-(2-chloro-3-fluoro-6-methoxy-5-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117464368
5-(3-methoxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidine-3-carboxylic acid
CID 117488531
5-(2,3,5-trifluoro-6-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117439774
5-(5-chloro-2-methoxy-3,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117117034
5-(3-chloro-2,5-difluoro-6-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117471128
5-(4-fluoro-2-hydroxy-3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117390681
5-(2-hydroxy-3,4,6-trimethylphenyl)pyrrolidine-3-carboxylic acid
CID 117117029
5-(2-ethyl-3,4-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 117447837
5-(5-fluoro-3-hydroxy-4-methoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117426174
5-(5-fluoro-3,4-dimethoxy-2-methylphenyl)pyrrolidine-3-carboxylic acid
CID 117455307

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid (CID 117376089) is 5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid is COc1c(C)ccc(C)c1C1CC(C(=O)O)CN1.
What is the InChIKey of 5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is JPAFZLWZKJHENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO3/c1-8-4-5-9(2)13(18-3)12(8)11-6-10(7-15-11)14(16)17/h4-5,10-11,15H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid?
5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 249.31 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxy-3,6-dimethylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117376089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).