1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid

C13H15N3O3 — CID 81051197

IUPAC1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1cc(N2CC(O)CC2C(=O)O)c(C#N)c(C)n1
InChIInChI=1S/C13H15N3O3/c1-7-3-11(10(5-14)8(2)15-7)16-6-9(17)4-12(16)13(18)19/h3,9,12,17H,4,6H2,1-2H3,(H,18,19)
InChIKeyCKXBFHPACPLKLR-UHFFFAOYSA-N
MW261.28 g/mol
LogP0.59
Rot. Bonds2

About 1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid

1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 81051197) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID81051197
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESCc1cc(N2CC(O)CC2C(=O)O)c(C#N)c(C)n1
InChIInChI=1S/C13H15N3O3/c1-7-3-11(10(5-14)8(2)15-7)16-6-9(17)4-12(16)13(18)19/h3,9,12,17H,4,6H2,1-2H3,(H,18,19)
InChIKeyCKXBFHPACPLKLR-UHFFFAOYSA-N
XLogP0.59
TPSA97.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidine-2-carboxylic acid
CID 81050172
1-(3-cyano-2,6-dimethyl-4-pyridinyl)azepane-2-carboxylic acid
CID 81060800
4-(3-cyano-2,6-dimethyl-4-pyridinyl)thiomorpholine-3-carboxylic acid
CID 82904975
1-(3-cyano-2,6-dimethyl-4-pyridinyl)-2-methylpyrrolidine-3-carboxylic acid
CID 81060702
4-(3-hydroxy-4-methylpiperidin-1-yl)-2,6-dimethylpyridine-3-carbonitrile
CID 103896228
ethyl 1-(3-cyano-2,6-dimethyl-4-pyridinyl)pyrrolidine-2-carboxylate
CID 81060455
3-[1-(3-cyano-2,6-dimethyl-4-pyridinyl)piperidin-2-yl]propanoic acid
CID 81050038
2-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)thiomorpholin-3-yl]acetic acid
CID 81061191
4-hydroxy-1-(4-methylpyrimidin-2-yl)pyrrolidine-2-carboxylic acid
CID 62959062
3-[4-(3-cyano-2,6-dimethyl-4-pyridinyl)piperazin-1-yl]propanoic acid
CID 81049314
4-[4-(azepane-1-carbonyl)piperidin-1-yl]-2,6-dimethylpyridine-3-carbonitrile
CID 133396507
1-(4-cyano-2,6-difluorophenyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 81293407

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 81051197) is 1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid is Cc1cc(N2CC(O)CC2C(=O)O)c(C#N)c(C)n1.
What is the InChIKey of 1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is CKXBFHPACPLKLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-7-3-11(10(5-14)8(2)15-7)16-6-9(17)4-12(16)13(18)19/h3,9,12,17H,4,6H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid?
1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyano-2,6-dimethyl-4-pyridinyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 81051197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).