2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid

C12H17N3O3 — CID 55155253

IUPAC2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid
SMILESCN(c1nccn(C2CC2)c1=O)C(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-12(2,11(17)18)14(3)9-10(16)15(7-6-13-9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyDWSNRMADXMQLSI-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.88
Rot. Bonds4

About 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid

2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid (PubChem CID 55155253) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid
PubChem CID55155253
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid
SMILESCN(c1nccn(C2CC2)c1=O)C(C)(C)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-12(2,11(17)18)14(3)9-10(16)15(7-6-13-9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,18)
InChIKeyDWSNRMADXMQLSI-UHFFFAOYSA-N
XLogP0.88
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid (CID 55155253) is 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid is CN(c1nccn(C2CC2)c1=O)C(C)(C)C(=O)O.
What is the InChIKey of 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid?
The InChIKey is DWSNRMADXMQLSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-12(2,11(17)18)14(3)9-10(16)15(7-6-13-9)8-4-5-8/h6-8H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid?
2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55155253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).