1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid

C10H11N3O4 — CID 43211076

IUPAC1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H11N3O4/c14-8-5-11-6(4-12-8)9(15)13-3-1-2-7(13)10(16)17/h4-5,7H,1-3H2,(H,12,14)(H,16,17)
InChIKeyRCWXCYIHDVAPSP-UHFFFAOYSA-N
MW237.21 g/mol
LogP-0.54
Rot. Bonds2

About 1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid

1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid (PubChem CID 43211076) has the molecular formula C10H11N3O4 and a molecular weight of 237.21 g/mol. Its IUPAC name is 1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
PubChem CID43211076
Molecular FormulaC10H11N3O4
Molecular Weight237.21 g/mol
Exact Mass237.07
IUPAC Name1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C10H11N3O4/c14-8-5-11-6(4-12-8)9(15)13-3-1-2-7(13)10(16)17/h4-5,7H,1-3H2,(H,12,14)(H,16,17)
InChIKeyRCWXCYIHDVAPSP-UHFFFAOYSA-N
XLogP-0.54
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid (CID 43211076) is 1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of 1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
The InChIKey is RCWXCYIHDVAPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O4/c14-8-5-11-6(4-12-8)9(15)13-3-1-2-7(13)10(16)17/h4-5,7H,1-3H2,(H,12,14)(H,16,17).
What are the key properties of 1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid?
1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of -0.54, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-oxo-1H-pyrazine-3-carbonyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43211076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).