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

C14H19NO2 — CID 83841163

IUPAC2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(C2C(C(=O)O)CCN2C)c(C)c1
InChIInChI=1S/C14H19NO2/c1-9-4-5-11(10(2)8-9)13-12(14(16)17)6-7-15(13)3/h4-5,8,12-13H,6-7H2,1-3H3,(H,16,17)
InChIKeyYYTPZOQFAFCAKX-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.38
Rot. Bonds2

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

2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid (PubChem CID 83841163) has the molecular formula C14H19NO2 and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid
PubChem CID83841163
Molecular FormulaC14H19NO2
Molecular Weight233.31 g/mol
Exact Mass233.14
IUPAC Name2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid
SMILESCc1ccc(C2C(C(=O)O)CCN2C)c(C)c1
InChIInChI=1S/C14H19NO2/c1-9-4-5-11(10(2)8-9)13-12(14(16)17)6-7-15(13)3/h4-5,8,12-13H,6-7H2,1-3H3,(H,16,17)
InChIKeyYYTPZOQFAFCAKX-UHFFFAOYSA-N
XLogP2.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-methyl-2-phenylpyrrolidine-3-carboxylic acid
CID 71778186
1-methyl-2-phenylpyrrolidine-3-carboxylic acid;hydrochloride
CID 122360453
2-(2,4-dimethylphenyl)-4-methylcyclohexane-1-carboxylic acid
CID 81020459
(2S,3S)-2-(2,4-dimethylphenyl)pyrrolidine-3-carboxylic acid
CID 82392927
2-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 83841819
2-(2,4-dimethylphenyl)-4,4-dimethylcyclohexane-1-carboxylic acid
CID 81021330
2-(2,4-dimethylphenyl)-5-oxo-1-prop-2-enylpyrrolidine-3-carboxylic acid
CID 82160203
(2S,3S)-2-(2-methylphenyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 51695333
(2S,3R)-1-methyl-2-phenylpiperidine-3-carboxylic acid
CID 67820250
trans-(1S,2S)-2-(2,5-dimethylphenyl)cyclopropane-1-carboxylic acid
CID 94240840
(1S,3R,4S)-4-(2,4-dimethylphenyl)-2,2,3-trimethylcyclopentane-1-carboxylic acid
CID 720604
2-(2,4-dimethylbenzoyl)cyclopropane-1-carboxylic acid
CID 116918498

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid?
The IUPAC name of 2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid (CID 83841163) is 2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for 2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid?
The canonical SMILES for 2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid is Cc1ccc(C2C(C(=O)O)CCN2C)c(C)c1.
What is the InChIKey of 2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid?
The InChIKey is YYTPZOQFAFCAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO2/c1-9-4-5-11(10(2)8-9)13-12(14(16)17)6-7-15(13)3/h4-5,8,12-13H,6-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid?
2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid has a molecular weight of 233.31 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dimethylphenyl)-1-methylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 83841163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).