2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid

C15H17N3O3 — CID 10779636

IUPAC2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
SMILESCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)O
InChIInChI=1S/C15H17N3O3/c1-11-9-17-14(15(21)18(11)10-13(19)20)16-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,17)(H,19,20)
InChIKeyUKAMHSXPNLVLDB-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.29
Rot. Bonds6

About 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid

2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid (PubChem CID 10779636) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
PubChem CID10779636
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid
SMILESCc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)O
InChIInChI=1S/C15H17N3O3/c1-11-9-17-14(15(21)18(11)10-13(19)20)16-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,17)(H,19,20)
InChIKeyUKAMHSXPNLVLDB-UHFFFAOYSA-N
XLogP1.29
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The IUPAC name of 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid (CID 10779636) is 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid.
What is the SMILES notation for 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The canonical SMILES for 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid is Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)O.
What is the InChIKey of 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
The InChIKey is UKAMHSXPNLVLDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-11-9-17-14(15(21)18(11)10-13(19)20)16-8-7-12-5-3-2-4-6-12/h2-6,9H,7-8,10H2,1H3,(H,16,17)(H,19,20).
What are the key properties of 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid?
2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid has a molecular weight of 287.32 g/mol, XLogP of 1.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-oxo-3-(2-phenylethylamino)pyrazin-1-yl]acetic acid is sourced from PubChem (CID 10779636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).