5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid

C13H19N3O4 — CID 122054901

IUPAC5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC(CCO)C2CCOCC2)cn1
InChIInChI=1S/C13H19N3O4/c17-4-1-10(9-2-5-20-6-3-9)16-12-8-14-11(7-15-12)13(18)19/h7-10,17H,1-6H2,(H,15,16)(H,18,19)
InChIKeyRKPHVXIFTYPCRX-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.76
Rot. Bonds6

About 5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid

5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid (PubChem CID 122054901) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is 5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid
PubChem CID122054901
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Name5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cnc(NC(CCO)C2CCOCC2)cn1
InChIInChI=1S/C13H19N3O4/c17-4-1-10(9-2-5-20-6-3-9)16-12-8-14-11(7-15-12)13(18)19/h7-10,17H,1-6H2,(H,15,16)(H,18,19)
InChIKeyRKPHVXIFTYPCRX-UHFFFAOYSA-N
XLogP0.76
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid (CID 122054901) is 5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid is O=C(O)c1cnc(NC(CCO)C2CCOCC2)cn1.
What is the InChIKey of 5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid?
The InChIKey is RKPHVXIFTYPCRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c17-4-1-10(9-2-5-20-6-3-9)16-12-8-14-11(7-15-12)13(18)19/h7-10,17H,1-6H2,(H,15,16)(H,18,19).
What are the key properties of 5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid?
5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid has a molecular weight of 281.31 g/mol, XLogP of 0.76, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-hydroxy-1-(oxan-4-yl)propyl]amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 122054901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).