tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate

C15H22FNO2 — CID 171834277

IUPACtert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C23CC2(F)C3)C2(CC2)C1
InChIInChI=1S/C15H22FNO2/c1-12(2,3)19-11(18)17-6-10(13(9-17)4-5-13)14-7-15(14,16)8-14/h10H,4-9H2,1-3H3
InChIKeyNEYRDIWNBFXOFY-UHFFFAOYSA-N
MW267.34 g/mol
LogP3.14
Rot. Bonds1

About tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate

tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate (PubChem CID 171834277) has the molecular formula C15H22FNO2 and a molecular weight of 267.34 g/mol. Its IUPAC name is tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate.

Molecular Properties

Compound Nametert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate
PubChem CID171834277
Molecular FormulaC15H22FNO2
Molecular Weight267.34 g/mol
Exact Mass267.16
IUPAC Nametert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(C23CC2(F)C3)C2(CC2)C1
InChIInChI=1S/C15H22FNO2/c1-12(2,3)19-11(18)17-6-10(13(9-17)4-5-13)14-7-15(14,16)8-14/h10H,4-9H2,1-3H3
InChIKeyNEYRDIWNBFXOFY-UHFFFAOYSA-N
XLogP3.14
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.34
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate with MolForge

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Related Compounds

5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[2.4]heptane-7-carboxylate
CID 134129326
tert-butyl 4-amino-2-azaspiro[4.5]decane-2-carboxylate
CID 82380941
tert-butyl 4-amino-3,3-difluoropyrrolidine-1-carboxylate;ethane
CID 144626869
tert-butyl (8S)-8-amino-5-azaspiro[2.5]octane-5-carboxylate
CID 86332345
tert-butyl 4-(2-hydroxyethyl)-2-azaspiro[4.4]nonane-2-carboxylate
CID 82379353
tert-butyl 2-amino-5-azaspiro[2.3]hexane-5-carboxylate
CID 83831540
(3S)-4,4-difluoro-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-3-carboxylic acid
CID 97290598
tert-butyl (2R)-2-(hydroxymethyl)-5-azaspiro[2.3]hexane-5-carboxylate
CID 129408071
(4R)-2-[(2-methylpropan-2-yl)oxycarbonyl]-8-oxa-2-azaspiro[4.5]decane-4-carboxylic acid
CID 97111510
tert-butyl (5R)-5-amino-7,7-difluoro-2-azaspiro[3.4]octane-2-carboxylate
CID 170898194
tert-butyl (4S)-4-hydroxy-3,3-dimethylpyrrolidine-1-carboxylate
CID 118369273
tert-butyl 6-hydroxy-3,3-dimethylazepane-1-carboxylate
CID 155258945

Frequently Asked Questions

What is the IUPAC name of tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The IUPAC name of tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate (CID 171834277) is tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate.
What is the SMILES notation for tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The canonical SMILES for tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate is CC(C)(C)OC(=O)N1CC(C23CC2(F)C3)C2(CC2)C1.
What is the InChIKey of tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate?
The InChIKey is NEYRDIWNBFXOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO2/c1-12(2,3)19-11(18)17-6-10(13(9-17)4-5-13)14-7-15(14,16)8-14/h10H,4-9H2,1-3H3.
What are the key properties of tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate?
tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate has a molecular weight of 267.34 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 7-(3-fluoro-1-bicyclo[1.1.0]butanyl)-5-azaspiro[2.4]heptane-5-carboxylate is sourced from PubChem (CID 171834277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).