(2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid

C11H12N2O3 — CID 151194451

IUPAC(2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(C(=O)c2ccncc2)CCCN1
InChIInChI=1S/C11H12N2O3/c14-9(8-2-6-12-7-3-8)11(10(15)16)4-1-5-13-11/h2-3,6-7,13H,1,4-5H2,(H,15,16)/t11-/m1/s1
InChIKeyNGZPFLLWILQJIA-LLVKDONJSA-N
MW220.23 g/mol
LogP0.47
Rot. Bonds3

About (2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 151194451) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID151194451
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(C(=O)c2ccncc2)CCCN1
InChIInChI=1S/C11H12N2O3/c14-9(8-2-6-12-7-3-8)11(10(15)16)4-1-5-13-11/h2-3,6-7,13H,1,4-5H2,(H,15,16)/t11-/m1/s1
InChIKeyNGZPFLLWILQJIA-LLVKDONJSA-N
XLogP0.47
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid (CID 151194451) is (2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@]1(C(=O)c2ccncc2)CCCN1.
What is the InChIKey of (2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is NGZPFLLWILQJIA-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-9(8-2-6-12-7-3-8)11(10(15)16)4-1-5-13-11/h2-3,6-7,13H,1,4-5H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 151194451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).