tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate

C10H17N3O2 — CID 95567113

IUPACtert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate
SMILESCC1=CN(C(=O)OC(C)(C)C)[C@H](N)C=N1
InChIInChI=1S/C10H17N3O2/c1-7-6-13(8(11)5-12-7)9(14)15-10(2,3)4/h5-6,8H,11H2,1-4H3/t8-/m0/s1
InChIKeySOFJZGBCGARHKC-QMMMGPOBSA-N
MW211.26 g/mol
LogP1.45
Rot. Bonds

About tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate

tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate (PubChem CID 95567113) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate
PubChem CID95567113
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Nametert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate
SMILESCC1=CN(C(=O)OC(C)(C)C)[C@H](N)C=N1
InChIInChI=1S/C10H17N3O2/c1-7-6-13(8(11)5-12-7)9(14)15-10(2,3)4/h5-6,8H,11H2,1-4H3/t8-/m0/s1
InChIKeySOFJZGBCGARHKC-QMMMGPOBSA-N
XLogP1.45
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl (1S,5R)-5-amino-2-azabicyclo[2.2.1]hept-3-ene-2-carboxylate
CID 70661588
tert-butyl 5-amino-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 54384310
tert-butyl (3S,4R)-3-amino-4-hydroxy-2-oxopyrrolidine-1-carboxylate
CID 151181116
tert-butyl 3-methyl-2H-azete-1-carboxylate
CID 163575848
tert-butyl (2S)-2-amino-5-bromo-2H-1,3,4-thiadiazole-3-carboxylate
CID 95567121
tert-butyl (2S)-2-tert-butyl-2H-1,3-oxazole-3-carboxylate
CID 121002766
tert-butyl 3-amino-2,3-dihydropyrrole-1-carboxylate
CID 155896869
tert-butyl (2R)-2-[methoxy(oxido)amino]-4-methyl-2,3-dihydropyrrole-1-carboxylate
CID 163464234
tert-butyl (2R)-5-iodo-2-methyl-3,4-dihydro-2H-pyridine-1-carboxylate
CID 130665668
1-O-tert-butyl 5-O-methyl pyrazole-1,5-dicarboxylate
CID 141109571
1-O-tert-butyl 2-O-ethyl (2S)-5-(trifluoromethyl)-3,4-dihydro-2H-pyridine-1,2-dicarboxylate
CID 122207267
tert-butyl 2,5-bis[dimethyl(phenyl)silyl]pyrrole-1-carboxylate
CID 44552230

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate (CID 95567113) is tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate is CC1=CN(C(=O)OC(C)(C)C)[C@H](N)C=N1.
What is the InChIKey of tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate?
The InChIKey is SOFJZGBCGARHKC-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-7-6-13(8(11)5-12-7)9(14)15-10(2,3)4/h5-6,8H,11H2,1-4H3/t8-/m0/s1.
What are the key properties of tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate?
tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate has a molecular weight of 211.26 g/mol, XLogP of 1.45, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-amino-5-methyl-2H-pyrazine-1-carboxylate is sourced from PubChem (CID 95567113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).