4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid

C13H16N2O3 — CID 63721715

IUPAC4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CC(C)C(C(=O)O)C2)cn1
InChIInChI=1S/C13H16N2O3/c1-8-6-15(7-11(8)13(17)18)12(16)10-4-3-9(2)14-5-10/h3-5,8,11H,6-7H2,1-2H3,(H,17,18)
InChIKeyMGTMXXLZZCYLPF-UHFFFAOYSA-N
MW248.28 g/mol
LogP1.18
Rot. Bonds2

About 4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid

4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (PubChem CID 63721715) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is 4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
PubChem CID63721715
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC Name4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
SMILESCc1ccc(C(=O)N2CC(C)C(C(=O)O)C2)cn1
InChIInChI=1S/C13H16N2O3/c1-8-6-15(7-11(8)13(17)18)12(16)10-4-3-9(2)14-5-10/h3-5,8,11H,6-7H2,1-2H3,(H,17,18)
InChIKeyMGTMXXLZZCYLPF-UHFFFAOYSA-N
XLogP1.18
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4S)-4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxamide
CID 128984202
(3S,4S)-1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 114085428
1-(6-chloropyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 63722081
4-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 55225730
(6-methyl-3-pyridinyl)-(3-methylpyrrolidin-1-yl)methanone
CID 144534976
(3-aminoazetidin-1-yl)-(6-methyl-3-pyridinyl)methanone
CID 63753826
(3S,4R)-4-(2-methoxyphenyl)-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 70727288
4-methyl-1-(pyrimidine-5-carbonyl)pyrrolidine-3-carboxylic acid
CID 102921512
1-(6-methylpyridine-3-carbonyl)piperidine-4-carboxylic acid
CID 16790190
(3S,4S)-4-methyl-1-[4-(3-methylpyrazol-1-yl)benzoyl]pyrrolidine-3-carboxylic acid
CID 120953061
(3S,4S)-4-methyl-1-(4-phenylbenzoyl)pyrrolidine-3-carboxylic acid
CID 120952873
(3S,4S)-1-(2,6-dimethylpyridine-3-carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CID 98537065

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid (CID 63721715) is 4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is Cc1ccc(C(=O)N2CC(C)C(C(=O)O)C2)cn1.
What is the InChIKey of 4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
The InChIKey is MGTMXXLZZCYLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c1-8-6-15(7-11(8)13(17)18)12(16)10-4-3-9(2)14-5-10/h3-5,8,11H,6-7H2,1-2H3,(H,17,18).
What are the key properties of 4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid has a molecular weight of 248.28 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-methylpyridine-3-carbonyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 63721715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).