2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid

C9H13N3O3 — CID 106108396

IUPAC2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
SMILESCOC(CNc1nccnc1C)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-6-8(11-4-3-10-6)12-5-7(15-2)9(13)14/h3-4,7H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDIAWYVPCGDQIDR-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.30
Rot. Bonds5

About 2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid

2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid (PubChem CID 106108396) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
PubChem CID106108396
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Name2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
SMILESCOC(CNc1nccnc1C)C(=O)O
InChIInChI=1S/C9H13N3O3/c1-6-8(11-4-3-10-6)12-5-7(15-2)9(13)14/h3-4,7H,5H2,1-2H3,(H,11,12)(H,13,14)
InChIKeyDIAWYVPCGDQIDR-UHFFFAOYSA-N
XLogP0.30
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid (CID 106108396) is 2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid is COC(CNc1nccnc1C)C(=O)O.
What is the InChIKey of 2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid?
The InChIKey is DIAWYVPCGDQIDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-6-8(11-4-3-10-6)12-5-7(15-2)9(13)14/h3-4,7H,5H2,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid?
2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid has a molecular weight of 211.22 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-[(3-methylpyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 106108396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).