tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate

C14H19FN4O3 — CID 59436441

IUPACtert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cnccn1
InChIInChI=1S/C14H19FN4O3/c1-14(2,3)22-13(21)19-8-9(15)6-10(19)12(20)18-11-7-16-4-5-17-11/h4-5,7,9-10H,6,8H2,1-3H3,(H,17,18,20)/t9-,10+/m1/s1
InChIKeyGSKBIQDVZHBFHA-ZJUUUORDSA-N
MW310.33 g/mol
LogP1.76
Rot. Bonds2

About tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate

tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 59436441) has the molecular formula C14H19FN4O3 and a molecular weight of 310.33 g/mol. Its IUPAC name is tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID59436441
Molecular FormulaC14H19FN4O3
Molecular Weight310.33 g/mol
Exact Mass310.14
IUPAC Nametert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cnccn1
InChIInChI=1S/C14H19FN4O3/c1-14(2,3)22-13(21)19-8-9(15)6-10(19)12(20)18-11-7-16-4-5-17-11/h4-5,7,9-10H,6,8H2,1-3H3,(H,17,18,20)/t9-,10+/m1/s1
InChIKeyGSKBIQDVZHBFHA-ZJUUUORDSA-N
XLogP1.76
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-butanoyl-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 75508740
(2S,4R)-4-Fluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436310
(S)-tert-Butyl 4,4-difluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 59436366
(S)-4,4-Difluoro-N-(pyrazin-2-yl)pyrrolidine-2-carboxamide
CID 59436448
Tert-butyl 4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 68472170
4,4-difluoro-N-pyrazin-2-ylpyrrolidine-2-carboxamide
CID 68474196
4,4-Difluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 68474354
Tert-butyl 4,4-difluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 68475020
4-Fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 68476050
2-Fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylic acid
CID 68726679
Fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
CID 68726680
(2S,4R)-2-[(6-bromopyrazin-2-yl)carbamoyl]-4-fluoropyrrolidine-1-carboxylic acid
CID 126618416

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate (CID 59436441) is tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C[C@H](F)C[C@H]1C(=O)Nc1cnccn1.
What is the InChIKey of tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is GSKBIQDVZHBFHA-ZJUUUORDSA-N. The full InChI is InChI=1S/C14H19FN4O3/c1-14(2,3)22-13(21)19-8-9(15)6-10(19)12(20)18-11-7-16-4-5-17-11/h4-5,7,9-10H,6,8H2,1-3H3,(H,17,18,20)/t9-,10+/m1/s1.
What are the key properties of tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 310.33 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,4R)-4-fluoro-2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 59436441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).