tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate

C16H23N3O4 — CID 164900436

IUPACtert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate
SMILESCOc1cnc2c(n1)CC1(CN[C@@H](C)C1C(=O)OC(C)(C)C)O2
InChIInChI=1S/C16H23N3O4/c1-9-12(14(20)23-15(2,3)4)16(8-18-9)6-10-13(22-16)17-7-11(19-10)21-5/h7,9,12,18H,6,8H2,1-5H3/t9-,12?,16?/m0/s1
InChIKeySDCOVOBNXUQOPE-GKMMUAHYSA-N
MW321.38 g/mol
LogP1.11
Rot. Bonds2

About tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate

tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate (PubChem CID 164900436) has the molecular formula C16H23N3O4 and a molecular weight of 321.38 g/mol. Its IUPAC name is tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate.

Molecular Properties

Compound Nametert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate
PubChem CID164900436
Molecular FormulaC16H23N3O4
Molecular Weight321.38 g/mol
Exact Mass321.17
IUPAC Nametert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate
SMILESCOc1cnc2c(n1)CC1(CN[C@@H](C)C1C(=O)OC(C)(C)C)O2
InChIInChI=1S/C16H23N3O4/c1-9-12(14(20)23-15(2,3)4)16(8-18-9)6-10-13(22-16)17-7-11(19-10)21-5/h7,9,12,18H,6,8H2,1-5H3/t9-,12?,16?/m0/s1
InChIKeySDCOVOBNXUQOPE-GKMMUAHYSA-N
XLogP1.11
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate?
The IUPAC name of tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate (CID 164900436) is tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate.
What is the SMILES notation for tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate?
The canonical SMILES for tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate is COc1cnc2c(n1)CC1(CN[C@@H](C)C1C(=O)OC(C)(C)C)O2.
What is the InChIKey of tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate?
The InChIKey is SDCOVOBNXUQOPE-GKMMUAHYSA-N. The full InChI is InChI=1S/C16H23N3O4/c1-9-12(14(20)23-15(2,3)4)16(8-18-9)6-10-13(22-16)17-7-11(19-10)21-5/h7,9,12,18H,6,8H2,1-5H3/t9-,12?,16?/m0/s1.
What are the key properties of tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate?
tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate has a molecular weight of 321.38 g/mol, XLogP of 1.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2'S)-2-methoxy-2'-methylspiro[7H-furo[2,3-b]pyrazine-6,4'-pyrrolidine]-3'-carboxylate is sourced from PubChem (CID 164900436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).