1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid

C15H21NO3 — CID 117018427

IUPAC1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C)cc1N1CC(C(=O)O)CC1(C)C
InChIInChI=1S/C15H21NO3/c1-10-5-6-13(19-4)12(7-10)16-9-11(14(17)18)8-15(16,2)3/h5-7,11H,8-9H2,1-4H3,(H,17,18)
InChIKeyABMKUKOUDSYYNP-UHFFFAOYSA-N
MW263.34 g/mol
LogP2.69
Rot. Bonds3

About 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid

1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid (PubChem CID 117018427) has the molecular formula C15H21NO3 and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
PubChem CID117018427
Molecular FormulaC15H21NO3
Molecular Weight263.34 g/mol
Exact Mass263.15
IUPAC Name1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid
SMILESCOc1ccc(C)cc1N1CC(C(=O)O)CC1(C)C
InChIInChI=1S/C15H21NO3/c1-10-5-6-13(19-4)12(7-10)16-9-11(14(17)18)8-15(16,2)3/h5-7,11H,8-9H2,1-4H3,(H,17,18)
InChIKeyABMKUKOUDSYYNP-UHFFFAOYSA-N
XLogP2.69
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-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

1-(2-methoxy-5-methylphenyl)-4-methylpiperidine-4-carboxylic acid
CID 117011695
1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-6-methylpiperidine-3-carboxylic acid
CID 122114295
(3S,4S)-1-[1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carbonyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120952420
1-(2,5-dimethoxyphenyl)-N,5,5-trimethylpyrrolidin-3-amine
CID 117018248
(4R)-1-(2-methoxy-5-methylphenyl)-4-(piperidine-1-carbonyl)pyrrolidin-2-one
CID 41025662
1-(2-methoxy-5-methylphenyl)-5-oxo-N,N-di(propan-2-yl)pyrrolidine-3-carboxamide
CID 56530400
4-(2-methoxy-5-methylphenyl)cyclohexane-1-carboxylic acid
CID 83652520
(4-methoxyphenyl) 1-(2-methoxy-5-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 42999797
(3S)-1-(2-methoxy-5-methylphenyl)-5-oxo-N-propan-2-ylpyrrolidine-3-carboxamide
CID 41025446
4-(2-methoxy-5-methylphenyl)piperazine-2,6-dione
CID 55236738
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
1-(2-methoxy-5-methylphenyl)-2,2-dimethylpyrrolidine-3-carbonitrile
CID 117017225

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid (CID 117018427) is 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid is COc1ccc(C)cc1N1CC(C(=O)O)CC1(C)C.
What is the InChIKey of 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid?
The InChIKey is ABMKUKOUDSYYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO3/c1-10-5-6-13(19-4)12(7-10)16-9-11(14(17)18)8-15(16,2)3/h5-7,11H,8-9H2,1-4H3,(H,17,18).
What are the key properties of 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid?
1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid has a molecular weight of 263.34 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-5-methylphenyl)-5,5-dimethylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 117018427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).