tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate

C15H21N3O3 — CID 80999348

IUPACtert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCc1cnc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H21N3O3/c1-10-8-17-11(9-16-10)13(19)18-7-5-6-12(18)14(20)21-15(2,3)4/h8-9,12H,5-7H2,1-4H3/t12-/m0/s1
InChIKeyUNDAEVLZAVBBQE-LBPRGKRZSA-N
MW291.35 g/mol
LogP1.73
Rot. Bonds2

About tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate

tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate (PubChem CID 80999348) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
PubChem CID80999348
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Nametert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
SMILESCc1cnc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)cn1
InChIInChI=1S/C15H21N3O3/c1-10-8-17-11(9-16-10)13(19)18-7-5-6-12(18)14(20)21-15(2,3)4/h8-9,12H,5-7H2,1-4H3/t12-/m0/s1
InChIKeyUNDAEVLZAVBBQE-LBPRGKRZSA-N
XLogP1.73
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate
CID 55005584
tert-butyl (2S)-1-(6-methylpyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 80999359
tert-butyl (2R)-1-(5-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 80998555
1-(5-methylpyrazine-2-carbonyl)azepane-2-carboxylic acid
CID 64561466
tert-butyl (2R)-1-(6-chloropyridine-2-carbonyl)pyrrolidine-2-carboxylate
CID 80999997
tert-butyl (2S)-1-benzoylpyrrolidine-2-carboxylate
CID 81004052
tert-butyl (2R)-1-benzoylpyrrolidine-2-carboxylate
CID 81002194
tert-butyl (2S)-1-(5-methylthiophene-2-carbonyl)pyrrolidine-2-carboxylate
CID 81004290
tert-butyl (2R)-1-(1,5-dimethylpyrrole-2-carbonyl)pyrrolidine-2-carboxylate
CID 81000153
tert-butyl (2S)-1-(pyridine-3-carbonyl)pyrrolidine-2-carboxylate
CID 10564407
tert-butyl (2S)-1-(2,6-dimethoxypyrimidine-4-carbonyl)pyrrolidine-2-carboxylate
CID 20788693
tert-butyl (2R)-1-(4-hydroxybenzoyl)pyrrolidine-2-carboxylate
CID 115535890

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate?
The IUPAC name of tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate (CID 80999348) is tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate?
The canonical SMILES for tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate is Cc1cnc(C(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)cn1.
What is the InChIKey of tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate?
The InChIKey is UNDAEVLZAVBBQE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-10-8-17-11(9-16-10)13(19)18-7-5-6-12(18)14(20)21-15(2,3)4/h8-9,12H,5-7H2,1-4H3/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate?
tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate has a molecular weight of 291.35 g/mol, XLogP of 1.73, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-1-(5-methylpyrazine-2-carbonyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 80999348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).