3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid

C10H15N3O2 — CID 114474321

IUPAC3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid
SMILESCc1ncc(N(C)CCC(=O)O)nc1C
InChIInChI=1S/C10H15N3O2/c1-7-8(2)12-9(6-11-7)13(3)5-4-10(14)15/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyNTTSRJPLDIQAJW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.00
Rot. Bonds4

About 3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid

3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid (PubChem CID 114474321) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid.

Molecular Properties

Compound Name3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid
PubChem CID114474321
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid
SMILESCc1ncc(N(C)CCC(=O)O)nc1C
InChIInChI=1S/C10H15N3O2/c1-7-8(2)12-9(6-11-7)13(3)5-4-10(14)15/h6H,4-5H2,1-3H3,(H,14,15)
InChIKeyNTTSRJPLDIQAJW-UHFFFAOYSA-N
XLogP1.00
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(6-cyanopyrazin-2-yl)-methylamino]propanoic acid
CID 167888305
2-[(5,6-dimethylpyrazin-2-yl)-prop-2-ynylamino]acetic acid
CID 114474558
4-[methyl(quinoxalin-2-yl)amino]butanoic acid
CID 62361159
3-[(6-cyclopropyl-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 83841920
3-[[6-(2-ethoxy-2-oxoethyl)sulfanylpyrazin-2-yl]-methylamino]propanoic acid
CID 122059550
3-[methyl-(2,5,6-trimethylpyrimidin-4-yl)amino]propanoic acid
CID 122059415
8-[(5,6-diphenylpyrazin-2-yl)-methylamino]octanoic acid
CID 18452661
4-[methyl-(2-methylpyrimidin-4-yl)amino]butanoic acid
CID 55211095
3-[[5-(aminomethyl)pyrazin-2-yl]-methylamino]-N-methylpropanamide
CID 106914421
hexadecanoic acid;2,3,5-trimethylpyrazine
CID 174550424
3-[(5-chloro-3-cyano-4-methyl-2-pyridinyl)-methylamino]propanoic acid
CID 122059376
3-[methyl(5,6,7,8-tetrahydroquinolin-2-yl)amino]propanoic acid
CID 83841565

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid?
The IUPAC name of 3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid (CID 114474321) is 3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid.
What is the SMILES notation for 3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid?
The canonical SMILES for 3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid is Cc1ncc(N(C)CCC(=O)O)nc1C.
What is the InChIKey of 3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid?
The InChIKey is NTTSRJPLDIQAJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-8(2)12-9(6-11-7)13(3)5-4-10(14)15/h6H,4-5H2,1-3H3,(H,14,15).
What are the key properties of 3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid?
3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-dimethylpyrazin-2-yl)-methylamino]propanoic acid is sourced from PubChem (CID 114474321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).