3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride

C12H16ClNO2 — CID 119032057

IUPAC3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCc1ccc(C2CCNC2C(=O)O)cc1.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-8-2-4-9(5-3-8)10-6-7-13-11(10)12(14)15;/h2-5,10-11,13H,6-7H2,1H3,(H,14,15);1H
InChIKeyBVCKXFIMGBFTKZ-UHFFFAOYSA-N
MW241.72 g/mol
LogP1.95
Rot. Bonds2

About 3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride

3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride (PubChem CID 119032057) has the molecular formula C12H16ClNO2 and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride.

Molecular Properties

Compound Name3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride
PubChem CID119032057
Molecular FormulaC12H16ClNO2
Molecular Weight241.72 g/mol
Exact Mass241.09
IUPAC Name3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride
SMILESCc1ccc(C2CCNC2C(=O)O)cc1.Cl
InChIInChI=1S/C12H15NO2.ClH/c1-8-2-4-9(5-3-8)10-6-7-13-11(10)12(14)15;/h2-5,10-11,13H,6-7H2,1H3,(H,14,15);1H
InChIKeyBVCKXFIMGBFTKZ-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The IUPAC name of 3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride (CID 119032057) is 3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride.
What is the SMILES notation for 3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The canonical SMILES for 3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride is Cc1ccc(C2CCNC2C(=O)O)cc1.Cl.
What is the InChIKey of 3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride?
The InChIKey is BVCKXFIMGBFTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2.ClH/c1-8-2-4-9(5-3-8)10-6-7-13-11(10)12(14)15;/h2-5,10-11,13H,6-7H2,1H3,(H,14,15);1H.
What are the key properties of 3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride?
3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride has a molecular weight of 241.72 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylphenyl)pyrrolidine-2-carboxylic acid;hydrochloride is sourced from PubChem (CID 119032057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).