(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid

C9H9N3O3 — CID 28875657

IUPAC(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2cnccn2)C1
InChIInChI=1S/C9H9N3O3/c13-8-3-6(9(14)15)5-12(8)7-4-10-1-2-11-7/h1-2,4,6H,3,5H2,(H,14,15)/t6-/m1/s1
InChIKeyOIUFODDGIUYXJM-ZCFIWIBFSA-N
MW207.19 g/mol
LogP-0.09
Rot. Bonds2

About (3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid

(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid (PubChem CID 28875657) has the molecular formula C9H9N3O3 and a molecular weight of 207.19 g/mol. Its IUPAC name is (3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
PubChem CID28875657
Molecular FormulaC9H9N3O3
Molecular Weight207.19 g/mol
Exact Mass207.06
IUPAC Name(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid
SMILESO=C(O)[C@@H]1CC(=O)N(c2cnccn2)C1
InChIInChI=1S/C9H9N3O3/c13-8-3-6(9(14)15)5-12(8)7-4-10-1-2-11-7/h1-2,4,6H,3,5H2,(H,14,15)/t6-/m1/s1
InChIKeyOIUFODDGIUYXJM-ZCFIWIBFSA-N
XLogP-0.09
TPSA83.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxamide
CID 168698605
5-oxo-1-pyrimidin-5-ylpyrrolidine-3-carboxylic acid
CID 82672144
1-(5-iodopyrimidin-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691970
1-(5-aminopyrimidin-4-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692302
1-(2,3-dihydro-1H-inden-5-yl)-4-(4-pyrazin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 46592345
1-(cyclopropanecarbonyl)-4-pyrazin-2-yl-1,4-diazepane-6-carboxylic acid
CID 74244449
1-(3-amino-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692272
1-(2-amino-3-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692273
1-(3-amino-5-bromo-2-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168692100
1-(3-chloro-5-methyl-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691216
1-(6-methylpyrazin-2-yl)-5-oxopyrrolidine-3-carboxamide
CID 168697041
1-(3-chloro-5-iodo-4-pyridinyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691565

Frequently Asked Questions

What is the IUPAC name of (3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid?
The IUPAC name of (3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid (CID 28875657) is (3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid is O=C(O)[C@@H]1CC(=O)N(c2cnccn2)C1.
What is the InChIKey of (3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid?
The InChIKey is OIUFODDGIUYXJM-ZCFIWIBFSA-N. The full InChI is InChI=1S/C9H9N3O3/c13-8-3-6(9(14)15)5-12(8)7-4-10-1-2-11-7/h1-2,4,6H,3,5H2,(H,14,15)/t6-/m1/s1.
What are the key properties of (3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid?
(3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of -0.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-oxo-1-pyrazin-2-ylpyrrolidine-3-carboxylic acid is sourced from PubChem (CID 28875657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).