(2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

C11H12N2O3 — CID 172819902

IUPAC(2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(C(=O)c2cccnc2)CCCN1
InChIInChI=1S/C11H12N2O3/c14-9(8-3-1-5-12-7-8)11(10(15)16)4-2-6-13-11/h1,3,5,7,13H,2,4,6H2,(H,15,16)/t11-/m1/s1
InChIKeyUBWFCVZJVSTKPN-LLVKDONJSA-N
MW220.23 g/mol
LogP0.47
Rot. Bonds3

About (2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid

(2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 172819902) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID172819902
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@]1(C(=O)c2cccnc2)CCCN1
InChIInChI=1S/C11H12N2O3/c14-9(8-3-1-5-12-7-8)11(10(15)16)4-2-6-13-11/h1,3,5,7,13H,2,4,6H2,(H,15,16)/t11-/m1/s1
InChIKeyUBWFCVZJVSTKPN-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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Related Compounds

(2R)-2-(pyridine-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 151194451
1-(pyridine-3-carbonyl)cyclobutane-1-carboxylic acid
CID 116921877
(2S)-2-pyridin-3-ylpyrrolidine-2-carboxylic acid
CID 141351322
pyridin-3-yl-[3-(trifluoromethyl)pyrrolidin-3-yl]methanone
CID 116572842
1-(pyridine-3-carbonyl)cyclobutane-1-carbonitrile
CID 116921578
CID 157283677
CID 157283677
1-phenyl-2-pyridin-3-ylethane-1,2-dione
CID 10987556
nickel;pyridine-3-carboxylic acid
CID 174049937
calcium;hydride;pyridine-3-carboxylic acid
CID 173013176
benzene;pyridine-3-carboxamide
CID 66766032
(1-morpholin-4-ylcyclopentyl)-pyridin-3-ylmethanone
CID 79058779
N-[1-(hydroxymethyl)cyclohexyl]pyridine-3-carboxamide
CID 62520732

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 172819902) is (2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)[C@]1(C(=O)c2cccnc2)CCCN1.
What is the InChIKey of (2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is UBWFCVZJVSTKPN-LLVKDONJSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-9(8-3-1-5-12-7-8)11(10(15)16)4-2-6-13-11/h1,3,5,7,13H,2,4,6H2,(H,15,16)/t11-/m1/s1.
What are the key properties of (2R)-2-(pyridine-3-carbonyl)pyrrolidine-2-carboxylic acid?
(2R)-2-(pyridine-3-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-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 172819902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).