(2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

C12H11N3O4 — CID 63856378

IUPAC(2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESN#Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)nc1
InChIInChI=1S/C12H11N3O4/c13-4-7-1-2-9(14-5-7)11(17)15-6-8(16)3-10(15)12(18)19/h1-2,5,8,10,16H,3,6H2,(H,18,19)/t8-,10+/m1/s1
InChIKeyJISLPJVYPXZKHN-SCZZXKLOSA-N
MW261.24 g/mol
LogP-0.39
Rot. Bonds2

About (2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid

(2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (PubChem CID 63856378) has the molecular formula C12H11N3O4 and a molecular weight of 261.24 g/mol. Its IUPAC name is (2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
PubChem CID63856378
Molecular FormulaC12H11N3O4
Molecular Weight261.24 g/mol
Exact Mass261.07
IUPAC Name(2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
SMILESN#Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)nc1
InChIInChI=1S/C12H11N3O4/c13-4-7-1-2-9(14-5-7)11(17)15-6-8(16)3-10(15)12(18)19/h1-2,5,8,10,16H,3,6H2,(H,18,19)/t8-,10+/m1/s1
InChIKeyJISLPJVYPXZKHN-SCZZXKLOSA-N
XLogP-0.39
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 5-0.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid (CID 63856378) is (2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is N#Cc1ccc(C(=O)N2C[C@H](O)C[C@H]2C(=O)O)nc1.
What is the InChIKey of (2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
The InChIKey is JISLPJVYPXZKHN-SCZZXKLOSA-N. The full InChI is InChI=1S/C12H11N3O4/c13-4-7-1-2-9(14-5-7)11(17)15-6-8(16)3-10(15)12(18)19/h1-2,5,8,10,16H,3,6H2,(H,18,19)/t8-,10+/m1/s1.
What are the key properties of (2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid?
(2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid has a molecular weight of 261.24 g/mol, XLogP of -0.39, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-1-(5-cyanopyridine-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid is sourced from PubChem (CID 63856378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).