(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid

C11H12N2O4 — CID 151065309

IUPAC(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1CC(c2ccccn2)CN1C(=O)O
InChIInChI=1S/C11H12N2O4/c14-10(15)9-5-7(6-13(9)11(16)17)8-3-1-2-4-12-8/h1-4,7,9H,5-6H2,(H,14,15)(H,16,17)/t7?,9-/m1/s1
InChIKeyMGZYCAIKRKQOQW-NHSZFOGYSA-N
MW236.23 g/mol
LogP1.00
Rot. Bonds2

About (2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid

(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid (PubChem CID 151065309) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is (2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid.

Molecular Properties

Compound Name(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid
PubChem CID151065309
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid
SMILESO=C(O)[C@H]1CC(c2ccccn2)CN1C(=O)O
InChIInChI=1S/C11H12N2O4/c14-10(15)9-5-7(6-13(9)11(16)17)8-3-1-2-4-12-8/h1-4,7,9H,5-6H2,(H,14,15)(H,16,17)/t7?,9-/m1/s1
InChIKeyMGZYCAIKRKQOQW-NHSZFOGYSA-N
XLogP1.00
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid?
The IUPAC name of (2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid (CID 151065309) is (2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid.
What is the SMILES notation for (2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid?
The canonical SMILES for (2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid is O=C(O)[C@H]1CC(c2ccccn2)CN1C(=O)O.
What is the InChIKey of (2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid?
The InChIKey is MGZYCAIKRKQOQW-NHSZFOGYSA-N. The full InChI is InChI=1S/C11H12N2O4/c14-10(15)9-5-7(6-13(9)11(16)17)8-3-1-2-4-12-8/h1-4,7,9H,5-6H2,(H,14,15)(H,16,17)/t7?,9-/m1/s1.
What are the key properties of (2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid?
(2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid has a molecular weight of 236.23 g/mol, XLogP of 1.00, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-pyridin-2-ylpyrrolidine-1,2-dicarboxylic acid is sourced from PubChem (CID 151065309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).