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

C13H21N3O3 — CID 55155254

IUPAC2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(c1nccn(C(C)C)c1=O)C(C)(C)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-6-16(13(4,5)12(18)19)10-11(17)15(9(2)3)8-7-14-10/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyFBCOVAPOOAVYGH-UHFFFAOYSA-N
MW267.33 g/mol
LogP1.51
Rot. Bonds5

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

2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 55155254) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid
PubChem CID55155254
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(c1nccn(C(C)C)c1=O)C(C)(C)C(=O)O
InChIInChI=1S/C13H21N3O3/c1-6-16(13(4,5)12(18)19)10-11(17)15(9(2)3)8-7-14-10/h7-9H,6H2,1-5H3,(H,18,19)
InChIKeyFBCOVAPOOAVYGH-UHFFFAOYSA-N
XLogP1.51
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 79258823
CID 79258823
CID 79261995
CID 79261995
CID 79790695
CID 79790695
CID 79790701
CID 79790701
CID 79798444
CID 79798444
CID 79798892
CID 79798892
CID 53414238
CID 53414238
CID 55124880
CID 55124880
CID 55124925
CID 55124925
CID 55131175
CID 55131175
CID 55132908
CID 55132908
CID 55147435
CID 55147435

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid (CID 55155254) is 2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid is CCN(c1nccn(C(C)C)c1=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is FBCOVAPOOAVYGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-6-16(13(4,5)12(18)19)10-11(17)15(9(2)3)8-7-14-10/h7-9H,6H2,1-5H3,(H,18,19).
What are the key properties of 2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid?
2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 267.33 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(3-oxo-4-propan-2-ylpyrazin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 55155254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).