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

C10H15N3O2 — CID 83064344

IUPAC2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
SMILESCc1nccnc1NCC(C)(C)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-7-8(12-5-4-11-7)13-6-10(2,3)9(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyIVPBQZVNSFXFPL-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.31
Rot. Bonds4

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

2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid (PubChem CID 83064344) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
PubChem CID83064344
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid
SMILESCc1nccnc1NCC(C)(C)C(=O)O
InChIInChI=1S/C10H15N3O2/c1-7-8(12-5-4-11-7)13-6-10(2,3)9(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15)
InChIKeyIVPBQZVNSFXFPL-UHFFFAOYSA-N
XLogP1.31
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 ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid (CID 83064344) is 2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid is Cc1nccnc1NCC(C)(C)C(=O)O.
What is the InChIKey of 2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid?
The InChIKey is IVPBQZVNSFXFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-8(12-5-4-11-7)13-6-10(2,3)9(14)15/h4-5H,6H2,1-3H3,(H,12,13)(H,14,15).
What are the key properties of 2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid?
2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-[(3-methylpyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 83064344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).