3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid

C13H21N3O3 — CID 55155443

IUPAC3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1nccn(C(C)C)c1=O
InChIInChI=1S/C13H21N3O3/c1-5-15(8-10(4)13(18)19)11-12(17)16(9(2)3)7-6-14-11/h6-7,9-10H,5,8H2,1-4H3,(H,18,19)
InChIKeyYFBFBMZEGLJWQG-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.37
Rot. Bonds6

About 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid

3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 55155443) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid
PubChem CID55155443
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1nccn(C(C)C)c1=O
InChIInChI=1S/C13H21N3O3/c1-5-15(8-10(4)13(18)19)11-12(17)16(9(2)3)7-6-14-11/h6-7,9-10H,5,8H2,1-4H3,(H,18,19)
InChIKeyYFBFBMZEGLJWQG-UHFFFAOYSA-N
XLogP1.37
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid (CID 55155443) is 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)c1nccn(C(C)C)c1=O.
What is the InChIKey of 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is YFBFBMZEGLJWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-5-15(8-10(4)13(18)19)11-12(17)16(9(2)3)7-6-14-11/h6-7,9-10H,5,8H2,1-4H3,(H,18,19).
What are the key properties of 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid?
3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55155443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).