2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid

C13H21N3O3 — CID 122065008

IUPAC2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid
SMILESCC(C)COc1cncc(N(C)CC(C)C(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)8-19-12-6-14-5-11(15-12)16(4)7-10(3)13(17)18/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)
InChIKeyPYHUPMQUSCNISQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.67
Rot. Bonds7

About 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid

2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid (PubChem CID 122065008) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid
PubChem CID122065008
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid
SMILESCC(C)COc1cncc(N(C)CC(C)C(=O)O)n1
InChIInChI=1S/C13H21N3O3/c1-9(2)8-19-12-6-14-5-11(15-12)16(4)7-10(3)13(17)18/h5-6,9-10H,7-8H2,1-4H3,(H,17,18)
InChIKeyPYHUPMQUSCNISQ-UHFFFAOYSA-N
XLogP1.67
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid?
The IUPAC name of 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid (CID 122065008) is 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid.
What is the SMILES notation for 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid?
The canonical SMILES for 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid is CC(C)COc1cncc(N(C)CC(C)C(=O)O)n1.
What is the InChIKey of 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid?
The InChIKey is PYHUPMQUSCNISQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-9(2)8-19-12-6-14-5-11(15-12)16(4)7-10(3)13(17)18/h5-6,9-10H,7-8H2,1-4H3,(H,17,18).
What are the key properties of 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid?
2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[methyl-[6-(2-methylpropoxy)pyrazin-2-yl]amino]propanoic acid is sourced from PubChem (CID 122065008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).