1-(3-methylphenyl)pyrrolidine-3-carboxylic acid

C12H15NO2 — CID 68740143

IUPAC1-(3-methylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1cccc(N2CCC(C(=O)O)C2)c1
InChIInChI=1S/C12H15NO2/c1-9-3-2-4-11(7-9)13-6-5-10(8-13)12(14)15/h2-4,7,10H,5-6,8H2,1H3,(H,14,15)
InChIKeyBYAAVWKHBOZJEY-UHFFFAOYSA-N
MW205.26 g/mol
LogP1.91
Rot. Bonds2

About 1-(3-methylphenyl)pyrrolidine-3-carboxylic acid

1-(3-methylphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 68740143) has the molecular formula C12H15NO2 and a molecular weight of 205.26 g/mol. Its IUPAC name is 1-(3-methylphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-methylphenyl)pyrrolidine-3-carboxylic acid
PubChem CID68740143
Molecular FormulaC12H15NO2
Molecular Weight205.26 g/mol
Exact Mass205.11
IUPAC Name1-(3-methylphenyl)pyrrolidine-3-carboxylic acid
SMILESCc1cccc(N2CCC(C(=O)O)C2)c1
InChIInChI=1S/C12H15NO2/c1-9-3-2-4-11(7-9)13-6-5-10(8-13)12(14)15/h2-4,7,10H,5-6,8H2,1H3,(H,14,15)
InChIKeyBYAAVWKHBOZJEY-UHFFFAOYSA-N
XLogP1.91
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.26
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,3-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2927147
1-(4-Fluorophenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2912652
Methyl 1-(4-ethylphenyl)-5-oxo-3-pyrrolidinecarboxylate
CID 2902946
1-(3-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2911491
3-(2,3-Dihydro-1H-indol-1-yl)propanoic acid
CID 647211
1-(3,5-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2741834
1-(2-Ethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2968626
1-(4-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2741827
Methyl 1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxylate
CID 577835
1-(2-Methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2911975
1-(2,5-Dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2900371
2-Oxo-1-phenylpyrrolidine-3-carboxylic acid
CID 3043762

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(3-methylphenyl)pyrrolidine-3-carboxylic acid (CID 68740143) is 1-(3-methylphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(3-methylphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(3-methylphenyl)pyrrolidine-3-carboxylic acid is Cc1cccc(N2CCC(C(=O)O)C2)c1.
What is the InChIKey of 1-(3-methylphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is BYAAVWKHBOZJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO2/c1-9-3-2-4-11(7-9)13-6-5-10(8-13)12(14)15/h2-4,7,10H,5-6,8H2,1H3,(H,14,15).
What are the key properties of 1-(3-methylphenyl)pyrrolidine-3-carboxylic acid?
1-(3-methylphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 205.26 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 68740143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).