methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate

C11H17N3O3 — CID 62938610

IUPACmethyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
SMILESCOC(=O)CNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C11H17N3O3/c1-11(2,3)14-6-5-12-9(10(14)16)13-7-8(15)17-4/h5-6H,7H2,1-4H3,(H,12,13)
InChIKeyUITDDHNGDHVAHS-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.58
Rot. Bonds3

About methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate

methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate (PubChem CID 62938610) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
PubChem CID62938610
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Namemethyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate
SMILESCOC(=O)CNc1nccn(C(C)(C)C)c1=O
InChIInChI=1S/C11H17N3O3/c1-11(2,3)14-6-5-12-9(10(14)16)13-7-8(15)17-4/h5-6H,7H2,1-4H3,(H,12,13)
InChIKeyUITDDHNGDHVAHS-UHFFFAOYSA-N
XLogP0.58
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-dimethylacetamide
CID 62938265
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]propanamide
CID 62940899
1-tert-butyl-3-(2,2,2-trifluoroethylamino)pyrazin-2-one
CID 62938433
1-tert-butyl-3-[(2-ethoxy-2-methylpropyl)amino]pyrazin-2-one
CID 114943089
1-tert-butyl-3-[(2-chloro-3-methoxypropyl)amino]pyrazin-2-one
CID 65027121
3-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-N,N-diethylpropanamide
CID 62939165
5-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 104683131
2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]-2-methylpentanoic acid
CID 62939947
1-tert-butyl-3-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazin-2-one
CID 113313353
3-[(2-amino-3-hydroxybutyl)amino]-1-tert-butylpyrazin-2-one
CID 64541943
1-tert-butyl-3-(propan-2-ylamino)pyrazin-2-one
CID 62938769
3-[(1-amino-2-methylpropan-2-yl)amino]-1-tert-butylpyrazin-2-one
CID 63194330

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate?
The IUPAC name of methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate (CID 62938610) is methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate.
What is the SMILES notation for methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate?
The canonical SMILES for methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate is COC(=O)CNc1nccn(C(C)(C)C)c1=O.
What is the InChIKey of methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate?
The InChIKey is UITDDHNGDHVAHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-11(2,3)14-6-5-12-9(10(14)16)13-7-8(15)17-4/h5-6H,7H2,1-4H3,(H,12,13).
What are the key properties of methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate?
methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate has a molecular weight of 239.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-tert-butyl-3-oxopyrazin-2-yl)amino]acetate is sourced from PubChem (CID 62938610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).