ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate

C15H26N2O4 — CID 166441093

IUPACditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)C=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h8-9,11H,10H2,1-7H3/t11-/m0/s1
InChIKeyWVRHQZFNVWKIFX-NSHDSACASA-N
MW298.38 g/mol
LogP3.33
Rot. Bonds

About ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate

ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate (PubChem CID 166441093) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate.

Molecular Properties

Compound Nameditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate
PubChem CID166441093
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nameditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate
SMILESC[C@H]1CN(C(=O)OC(C)(C)C)C=CN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H26N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h8-9,11H,10H2,1-7H3/t11-/m0/s1
InChIKeyWVRHQZFNVWKIFX-NSHDSACASA-N
XLogP3.33
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate?
The IUPAC name of ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate (CID 166441093) is ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate.
What is the SMILES notation for ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate?
The canonical SMILES for ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate is C[C@H]1CN(C(=O)OC(C)(C)C)C=CN1C(=O)OC(C)(C)C.
What is the InChIKey of ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate?
The InChIKey is WVRHQZFNVWKIFX-NSHDSACASA-N. The full InChI is InChI=1S/C15H26N2O4/c1-11-10-16(12(18)20-14(2,3)4)8-9-17(11)13(19)21-15(5,6)7/h8-9,11H,10H2,1-7H3/t11-/m0/s1.
What are the key properties of ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate?
ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate has a molecular weight of 298.38 g/mol, XLogP of 3.33, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ditert-butyl (2S)-2-methyl-2,3-dihydropyrazine-1,4-dicarboxylate is sourced from PubChem (CID 166441093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).