3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid

C9H13N3O4 — CID 106197957

IUPAC3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCOCC(CO)Nc1nccnc1C(=O)O
InChIInChI=1S/C9H13N3O4/c1-16-5-6(4-13)12-8-7(9(14)15)10-2-3-11-8/h2-3,6,13H,4-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyPZPPDRMEMNZTEW-UHFFFAOYSA-N
MW227.22 g/mol
LogP-0.41
Rot. Bonds6

About 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid

3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid (PubChem CID 106197957) has the molecular formula C9H13N3O4 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
PubChem CID106197957
Molecular FormulaC9H13N3O4
Molecular Weight227.22 g/mol
Exact Mass227.09
IUPAC Name3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid
SMILESCOCC(CO)Nc1nccnc1C(=O)O
InChIInChI=1S/C9H13N3O4/c1-16-5-6(4-13)12-8-7(9(14)15)10-2-3-11-8/h2-3,6,13H,4-5H2,1H3,(H,11,12)(H,14,15)
InChIKeyPZPPDRMEMNZTEW-UHFFFAOYSA-N
XLogP-0.41
TPSA104.57 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid?
The IUPAC name of 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid (CID 106197957) is 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid is COCC(CO)Nc1nccnc1C(=O)O.
What is the InChIKey of 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid?
The InChIKey is PZPPDRMEMNZTEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O4/c1-16-5-6(4-13)12-8-7(9(14)15)10-2-3-11-8/h2-3,6,13H,4-5H2,1H3,(H,11,12)(H,14,15).
What are the key properties of 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid?
3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of -0.41, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-hydroxy-3-methoxypropan-2-yl)amino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 106197957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).