tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate

C13H22F2N2O2 — CID 163547382

IUPACtert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12CC2NCC(F)F
InChIInChI=1S/C13H22F2N2O2/c1-12(2,3)19-11(18)17-6-4-5-13(17)7-9(13)16-8-10(14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyFGFIHQMUOUPNGU-UHFFFAOYSA-N
MW276.33 g/mol
LogP2.38
Rot. Bonds3

About tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate

tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate (PubChem CID 163547382) has the molecular formula C13H22F2N2O2 and a molecular weight of 276.33 g/mol. Its IUPAC name is tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate
PubChem CID163547382
Molecular FormulaC13H22F2N2O2
Molecular Weight276.33 g/mol
Exact Mass276.16
IUPAC Nametert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC12CC2NCC(F)F
InChIInChI=1S/C13H22F2N2O2/c1-12(2,3)19-11(18)17-6-4-5-13(17)7-9(13)16-8-10(14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyFGFIHQMUOUPNGU-UHFFFAOYSA-N
XLogP2.38
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(2-methylpropan-2-yl)oxycarbonyl]-5-azaspiro[3.4]octane-2-carboxylic acid
CID 56962184
ditert-butyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 68574402
tert-butyl (2R)-2-amino-2-methylpyrrolidine-1-carboxylate
CID 154191796
tert-butyl 2-cyano-5-azaspiro[3.4]octane-5-carboxylate
CID 56962171
1-O-tert-butyl 2-O-methyl 2-(2-methylpropyl)pyrrolidine-1,2-dicarboxylate
CID 83079865
tert-butyl 2-oxa-5-azaspiro[3.4]octane-5-carboxylate
CID 54758971
2-hydroxy-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 22556536
1-O-tert-butyl 2-O-methyl 2-acetylpyrrolidine-1,2-dicarboxylate
CID 90330161
1-O-tert-butyl 2-O-methyl 2-sulfanylpyrrolidine-1,2-dicarboxylate
CID 150937032
2-(3,3-difluoroprop-2-enyl)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
CID 69097894
tert-butyl 3-(difluoromethyl)-3-(methylaminomethyl)piperidine-1-carboxylate
CID 103512878
tert-butyl (2S)-2-methyl-2-(3,3,3-trifluoropropanoyl)pyrrolidine-1-carboxylate
CID 177311829

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate?
The IUPAC name of tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate (CID 163547382) is tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate.
What is the SMILES notation for tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate?
The canonical SMILES for tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate is CC(C)(C)OC(=O)N1CCCC12CC2NCC(F)F.
What is the InChIKey of tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate?
The InChIKey is FGFIHQMUOUPNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2N2O2/c1-12(2,3)19-11(18)17-6-4-5-13(17)7-9(13)16-8-10(14)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate?
tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate has a molecular weight of 276.33 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,2-difluoroethylamino)-4-azaspiro[2.4]heptane-4-carboxylate is sourced from PubChem (CID 163547382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).