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

C11H13N3O4 — CID 28789886

IUPAC(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H13N3O4/c15-9-6-12-7(5-13-9)10(16)14-4-2-1-3-8(14)11(17)18/h5-6,8H,1-4H2,(H,13,15)(H,17,18)/t8-/m1/s1
InChIKeyGCIDCPACBOWSOG-MRVPVSSYSA-N
MW251.24 g/mol
LogP-0.15
Rot. Bonds2

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

(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid (PubChem CID 28789886) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is (2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
PubChem CID28789886
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid
SMILESO=C(O)[C@H]1CCCCN1C(=O)c1c[nH]c(=O)cn1
InChIInChI=1S/C11H13N3O4/c15-9-6-12-7(5-13-9)10(16)14-4-2-1-3-8(14)11(17)18/h5-6,8H,1-4H2,(H,13,15)(H,17,18)/t8-/m1/s1
InChIKeyGCIDCPACBOWSOG-MRVPVSSYSA-N
XLogP-0.15
TPSA103.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of (2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid (CID 28789886) is (2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid is O=C(O)[C@H]1CCCCN1C(=O)c1c[nH]c(=O)cn1.
What is the InChIKey of (2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is GCIDCPACBOWSOG-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H13N3O4/c15-9-6-12-7(5-13-9)10(16)14-4-2-1-3-8(14)11(17)18/h5-6,8H,1-4H2,(H,13,15)(H,17,18)/t8-/m1/s1.
What are the key properties of (2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid?
(2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 251.24 g/mol, XLogP of -0.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(6-oxo-1H-pyrazine-3-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 28789886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).