3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid

C10H15N3O2 — CID 65416658

IUPAC3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCc1cnc(C)c(NCC(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-6(10(14)15)4-12-9-8(3)11-5-7(2)13-9/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyCFBIXMGDZHKTDO-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.23
Rot. Bonds4

About 3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid

3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 65416658) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid
PubChem CID65416658
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCc1cnc(C)c(NCC(C)C(=O)O)n1
InChIInChI=1S/C10H15N3O2/c1-6(10(14)15)4-12-9-8(3)11-5-7(2)13-9/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyCFBIXMGDZHKTDO-UHFFFAOYSA-N
XLogP1.23
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid (CID 65416658) is 3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid is Cc1cnc(C)c(NCC(C)C(=O)O)n1.
What is the InChIKey of 3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is CFBIXMGDZHKTDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-6(10(14)15)4-12-9-8(3)11-5-7(2)13-9/h5-6H,4H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid?
3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,6-dimethylpyrazin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 65416658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).