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

C10H15N3O2 — CID 83062665

IUPAC3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid
SMILESCCN(CCC(=O)O)c1nccnc1C
InChIInChI=1S/C10H15N3O2/c1-3-13(7-4-9(14)15)10-8(2)11-5-6-12-10/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyVQZYCODRBNSUAW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.09
Rot. Bonds5

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

3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid (PubChem CID 83062665) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid
PubChem CID83062665
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid
SMILESCCN(CCC(=O)O)c1nccnc1C
InChIInChI=1S/C10H15N3O2/c1-3-13(7-4-9(14)15)10-8(2)11-5-6-12-10/h5-6H,3-4,7H2,1-2H3,(H,14,15)
InChIKeyVQZYCODRBNSUAW-UHFFFAOYSA-N
XLogP1.09
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid (CID 83062665) is 3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid is CCN(CCC(=O)O)c1nccnc1C.
What is the InChIKey of 3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid?
The InChIKey is VQZYCODRBNSUAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-3-13(7-4-9(14)15)10-8(2)11-5-6-12-10/h5-6H,3-4,7H2,1-2H3,(H,14,15).
What are the key properties of 3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid?
3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-methylpyrazin-2-yl)amino]propanoic acid is sourced from PubChem (CID 83062665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).