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

C12H17N3O3 — CID 55157362

IUPAC3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)c1nccn(C2CC2)c1=O)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-8(12(17)18)7-14(2)10-11(16)15(6-5-13-10)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyXVHUDLMEBVGJRO-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.74
Rot. Bonds5

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

3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid (PubChem CID 55157362) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid
PubChem CID55157362
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid
SMILESCC(CN(C)c1nccn(C2CC2)c1=O)C(=O)O
InChIInChI=1S/C12H17N3O3/c1-8(12(17)18)7-14(2)10-11(16)15(6-5-13-10)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18)
InChIKeyXVHUDLMEBVGJRO-UHFFFAOYSA-N
XLogP0.74
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 55131175
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CID 55147436
CID 55154866
CID 55154866
CID 55155060
CID 55155060
CID 55155061
CID 55155061
CID 55155253
CID 55155253
CID 55155254
CID 55155254
CID 55155442
CID 55155442
CID 55155443
CID 55155443
CID 55155469
CID 55155469
CID 55155470
CID 55155470

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid?
The IUPAC name of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid (CID 55157362) is 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid is CC(CN(C)c1nccn(C2CC2)c1=O)C(=O)O.
What is the InChIKey of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid?
The InChIKey is XVHUDLMEBVGJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-8(12(17)18)7-14(2)10-11(16)15(6-5-13-10)9-3-4-9/h5-6,8-9H,3-4,7H2,1-2H3,(H,17,18).
What are the key properties of 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid?
3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid has a molecular weight of 251.29 g/mol, XLogP of 0.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-3-oxopyrazin-2-yl)-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 55157362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).