3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

C13H18N2O2 — CID 102785835

IUPAC3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(CN2CCC(C)C2C(=O)O)n1
InChIInChI=1S/C13H18N2O2/c1-9-6-7-15(12(9)13(16)17)8-11-5-3-4-10(2)14-11/h3-5,9,12H,6-8H2,1-2H3,(H,16,17)
InChIKeyOYZHJXUQIFXOTN-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.69
Rot. Bonds3

About 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 102785835) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID102785835
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1cccc(CN2CCC(C)C2C(=O)O)n1
InChIInChI=1S/C13H18N2O2/c1-9-6-7-15(12(9)13(16)17)8-11-5-3-4-10(2)14-11/h3-5,9,12H,6-8H2,1-2H3,(H,16,17)
InChIKeyOYZHJXUQIFXOTN-UHFFFAOYSA-N
XLogP1.69
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-[methyl-[(6-methyl-2-pyridinyl)methyl]carbamoyl]pyrrolidine-2-carboxylic acid
CID 102782902
4-hydroxy-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 114351745
1-[(6-methyl-2-pyridinyl)methyl]piperidine-3,4-dicarboxylic acid
CID 115918772
(3aS,6aR)-N,N-dimethyl-1-[(6-methyl-2-pyridinyl)methyl]-2,3,3a,5,6,6a-hexahydropyrrolo[3,2-b]pyrrole-4-carboxamide
CID 125220159
(3S)-2-[(6-methyl-2-pyridinyl)methyl]-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 104895930
1-[(2,3-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786558
1-[(2-acetamido-1,3-thiazol-4-yl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784130
3-methyl-1-[(2-propyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102784529
1-(1,3-benzothiazol-2-ylmethyl)-3-methylpyrrolidine-2-carboxylic acid
CID 102784109
1-[(3,4-dichlorophenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102784435
1-[(2,4-dimethylphenyl)methyl]-3-methylpyrrolidine-2-carboxylic acid
CID 102786561
3-methyl-1-[(3-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 102787300

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (CID 102785835) is 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is Cc1cccc(CN2CCC(C)C2C(=O)O)n1.
What is the InChIKey of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is OYZHJXUQIFXOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-9-6-7-15(12(9)13(16)17)8-11-5-3-4-10(2)14-11/h3-5,9,12H,6-8H2,1-2H3,(H,16,17).
What are the key properties of 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 234.30 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(6-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 102785835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).