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

C11H17N3O2 — CID 65416664

IUPAC2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1nc(C)cnc1C)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-9(11(15)16)6-13-10-8(3)12-5-7(2)14-10/h5,9H,4,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyOHADTVRPCVOOMZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.62
Rot. Bonds5

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

2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid (PubChem CID 65416664) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid.

Molecular Properties

Compound Name2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid
PubChem CID65416664
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid
SMILESCCC(CNc1nc(C)cnc1C)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-9(11(15)16)6-13-10-8(3)12-5-7(2)14-10/h5,9H,4,6H2,1-3H3,(H,13,14)(H,15,16)
InChIKeyOHADTVRPCVOOMZ-UHFFFAOYSA-N
XLogP1.62
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid?
The IUPAC name of 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid (CID 65416664) is 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid.
What is the SMILES notation for 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid?
The canonical SMILES for 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid is CCC(CNc1nc(C)cnc1C)C(=O)O.
What is the InChIKey of 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid?
The InChIKey is OHADTVRPCVOOMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-9(11(15)16)6-13-10-8(3)12-5-7(2)14-10/h5,9H,4,6H2,1-3H3,(H,13,14)(H,15,16).
What are the key properties of 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid?
2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3,6-dimethylpyrazin-2-yl)amino]methyl]butanoic acid is sourced from PubChem (CID 65416664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).