5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

C19H20N2O3 — CID 124698524

IUPAC5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C19H20N2O3/c1-13-4-6-14(7-5-13)11-16-3-2-10-21(16)18(22)15-8-9-17(19(23)24)20-12-15/h4-9,12,16H,2-3,10-11H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyBWGBAXQZHUACAC-INIZCTEOSA-N
MW324.38 g/mol
LogP2.94
Rot. Bonds4

About 5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid

5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (PubChem CID 124698524) has the molecular formula C19H20N2O3 and a molecular weight of 324.38 g/mol. Its IUPAC name is 5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
PubChem CID124698524
Molecular FormulaC19H20N2O3
Molecular Weight324.38 g/mol
Exact Mass324.15
IUPAC Name5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid
SMILESCc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)cc1
InChIInChI=1S/C19H20N2O3/c1-13-4-6-14(7-5-13)11-16-3-2-10-21(16)18(22)15-8-9-17(19(23)24)20-12-15/h4-9,12,16H,2-3,10-11H2,1H3,(H,23,24)/t16-/m0/s1
InChIKeyBWGBAXQZHUACAC-INIZCTEOSA-N
XLogP2.94
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-ethylpyrrolidine-1-carbonyl)pyridine-2-carboxylic acid
CID 54885795
5-[2-[(4-fluorophenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxamide
CID 154779989
(2-benzylpyrrolidin-1-yl)-(5-methylpyrazin-2-yl)methanone
CID 42940211
5-[2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]thiophene-2-carboxylic acid
CID 119184052
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]methanone
CID 121451699
(2-benzylpyrrolidin-1-yl)-[4-[(dimethylamino)methyl]phenyl]methanone
CID 75402551
3-amino-1-[2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]propan-1-one
CID 83623294
3-[1-[6-(methylcarbamoyl)pyridine-3-carbonyl]piperidin-2-yl]propanoic acid
CID 120536705
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-phenylmethanone
CID 110411316
2-(methylamino)-1-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidin-1-yl]ethanone
CID 124509626
2-[1-(6-methylpyridine-3-carbonyl)piperidin-2-yl]acetic acid
CID 54899855
[2-[(4-fluorophenyl)methyl]pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 84511159

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The IUPAC name of 5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid (CID 124698524) is 5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The canonical SMILES for 5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is Cc1ccc(C[C@@H]2CCCN2C(=O)c2ccc(C(=O)O)nc2)cc1.
What is the InChIKey of 5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
The InChIKey is BWGBAXQZHUACAC-INIZCTEOSA-N. The full InChI is InChI=1S/C19H20N2O3/c1-13-4-6-14(7-5-13)11-16-3-2-10-21(16)18(22)15-8-9-17(19(23)24)20-12-15/h4-9,12,16H,2-3,10-11H2,1H3,(H,23,24)/t16-/m0/s1.
What are the key properties of 5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid?
5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid has a molecular weight of 324.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-[(4-methylphenyl)methyl]pyrrolidine-1-carbonyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 124698524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).