(2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H12N2O3 — CID 759907

IUPAC(2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C11H12N2O3/c14-10(8-3-1-5-12-7-8)13-6-2-4-9(13)11(15)16/h1,3,5,7,9H,2,4,6H2,(H,15,16)/t9-/m0/s1
InChIKeyVHACSPGAMLSZBK-VIFPVBQESA-N
MW220.23 g/mol
LogP0.77
Rot. Bonds2

About (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 759907) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID759907
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1C(=O)c1cccnc1
InChIInChI=1S/C11H12N2O3/c14-10(8-3-1-5-12-7-8)13-6-2-4-9(13)11(15)16/h1,3,5,7,9H,2,4,6H2,(H,15,16)/t9-/m0/s1
InChIKeyVHACSPGAMLSZBK-VIFPVBQESA-N
XLogP0.77
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 759907) is (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1C(=O)c1cccnc1.
What is the InChIKey of (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is VHACSPGAMLSZBK-VIFPVBQESA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10(8-3-1-5-12-7-8)13-6-2-4-9(13)11(15)16/h1,3,5,7,9H,2,4,6H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 759907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).