(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C13H16N2O4 — CID 114269502

IUPAC(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1cc(C)nc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)c1
InChIInChI=1S/C13H16N2O4/c1-7-3-8(2)14-10(4-7)12(17)15-6-9(16)5-11(15)13(18)19/h3-4,9,11,16H,5-6H2,1-2H3,(H,18,19)/t9-,11+/m1/s1
InChIKeyRBHMWVQAVOVRAL-KOLCDFICSA-N
MW264.28 g/mol
LogP0.36
Rot. Bonds2

About (2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 114269502) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is (2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID114269502
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1cc(C)nc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)c1
InChIInChI=1S/C13H16N2O4/c1-7-3-8(2)14-10(4-7)12(17)15-6-9(16)5-11(15)13(18)19/h3-4,9,11,16H,5-6H2,1-2H3,(H,18,19)/t9-,11+/m1/s1
InChIKeyRBHMWVQAVOVRAL-KOLCDFICSA-N
XLogP0.36
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S)-4-hydroxy-1-(5-methyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 28778296
(2S)-4-hydroxy-1-(2-methyl-1,3-thiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65199509
(2S,4R)-1-(3,6-dimethylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 113439181
(2R,4R)-4-hydroxy-1-(5-methyl-1,2,4-oxadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 79000895
(2S,4S)-1-(6-chloropyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 64714061
(2S,4S)-4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214873
(2S)-4-hydroxy-1-(1,2,5-thiadiazole-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 61153426
4-hydroxy-1-(thiadiazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 65214861
1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 43171398
1-(3-ethyl-6-methylpyridazine-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 104669366
(2S,4R)-4-hydroxy-1-(imidazo[1,2-a]pyridine-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 63858178
(2S,4R)-1-[(3,5-dimethylphenyl)-methylcarbamoyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 63842028

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 114269502) is (2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is Cc1cc(C)nc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)c1.
What is the InChIKey of (2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is RBHMWVQAVOVRAL-KOLCDFICSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-7-3-8(2)14-10(4-7)12(17)15-6-9(16)5-11(15)13(18)19/h3-4,9,11,16H,5-6H2,1-2H3,(H,18,19)/t9-,11+/m1/s1.
What are the key properties of (2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 264.28 g/mol, XLogP of 0.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(4,6-dimethylpyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 114269502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).