3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid

C10H13N3O3 — CID 62710958

IUPAC3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCC1CCCO1
InChIInChI=1S/C10H13N3O3/c14-10(15)8-9(12-4-3-11-8)13-6-7-2-1-5-16-7/h3-4,7H,1-2,5-6H2,(H,12,13)(H,14,15)
InChIKeyDFOUCJJGPIKTJS-UHFFFAOYSA-N
MW223.23 g/mol
LogP0.77
Rot. Bonds4

About 3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid

3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid (PubChem CID 62710958) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid
PubChem CID62710958
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid
SMILESO=C(O)c1nccnc1NCC1CCCO1
InChIInChI=1S/C10H13N3O3/c14-10(15)8-9(12-4-3-11-8)13-6-7-2-1-5-16-7/h3-4,7H,1-2,5-6H2,(H,12,13)(H,14,15)
InChIKeyDFOUCJJGPIKTJS-UHFFFAOYSA-N
XLogP0.77
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid?
The IUPAC name of 3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid (CID 62710958) is 3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid?
The canonical SMILES for 3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid is O=C(O)c1nccnc1NCC1CCCO1.
What is the InChIKey of 3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid?
The InChIKey is DFOUCJJGPIKTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c14-10(15)8-9(12-4-3-11-8)13-6-7-2-1-5-16-7/h3-4,7H,1-2,5-6H2,(H,12,13)(H,14,15).
What are the key properties of 3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid?
3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid has a molecular weight of 223.23 g/mol, XLogP of 0.77, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-ylmethylamino)pyrazine-2-carboxylic acid is sourced from PubChem (CID 62710958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).