3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid

C13H19N3O3 — CID 167780781

IUPAC3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid
SMILESCCn1ccnc(NC2CC(CCC(=O)O)C2)c1=O
InChIInChI=1S/C13H19N3O3/c1-2-16-6-5-14-12(13(16)19)15-10-7-9(8-10)3-4-11(17)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,15)(H,17,18)
InChIKeyXVKMHXPRAQJWJG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.32
Rot. Bonds6

About 3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid

3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid (PubChem CID 167780781) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid.

Molecular Properties

Compound Name3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid
PubChem CID167780781
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid
SMILESCCn1ccnc(NC2CC(CCC(=O)O)C2)c1=O
InChIInChI=1S/C13H19N3O3/c1-2-16-6-5-14-12(13(16)19)15-10-7-9(8-10)3-4-11(17)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,15)(H,17,18)
InChIKeyXVKMHXPRAQJWJG-UHFFFAOYSA-N
XLogP1.32
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid?
The IUPAC name of 3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid (CID 167780781) is 3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid.
What is the SMILES notation for 3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid?
The canonical SMILES for 3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid is CCn1ccnc(NC2CC(CCC(=O)O)C2)c1=O.
What is the InChIKey of 3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid?
The InChIKey is XVKMHXPRAQJWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-2-16-6-5-14-12(13(16)19)15-10-7-9(8-10)3-4-11(17)18/h5-6,9-10H,2-4,7-8H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid?
3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid has a molecular weight of 265.31 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-ethyl-3-oxopyrazin-2-yl)amino]cyclobutyl]propanoic acid is sourced from PubChem (CID 167780781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).