tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate

C17H26F2N2O3 — CID 150069068

IUPACtert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1CN1CCC2(CC1)CC2(F)F
InChIInChI=1S/C17H26F2N2O3/c1-15(2,3)24-14(23)21-12(4-5-13(21)22)10-20-8-6-16(7-9-20)11-17(16,18)19/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyDOWSPPIZTHGSRM-LBPRGKRZSA-N
MW344.40 g/mol
LogP3.03
Rot. Bonds2

About tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate

tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate (PubChem CID 150069068) has the molecular formula C17H26F2N2O3 and a molecular weight of 344.40 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate
PubChem CID150069068
Molecular FormulaC17H26F2N2O3
Molecular Weight344.40 g/mol
Exact Mass344.19
IUPAC Nametert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)CC[C@H]1CN1CCC2(CC1)CC2(F)F
InChIInChI=1S/C17H26F2N2O3/c1-15(2,3)24-14(23)21-12(4-5-13(21)22)10-20-8-6-16(7-9-20)11-17(16,18)19/h12H,4-11H2,1-3H3/t12-/m0/s1
InChIKeyDOWSPPIZTHGSRM-LBPRGKRZSA-N
XLogP3.03
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.40
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-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

tert-butyl 2-(hydroxymethyl)-5-oxopyrrolidine-1-carboxylate;propane
CID 143193370
tert-butyl (2R)-2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 124704515
tert-butyl 2-hydroxy-5-oxopyrrolidine-1-carboxylate
CID 14686213
tert-butyl (2S)-2-(ethylperoxymethyl)-5-oxopyrrolidine-1-carboxylate
CID 89281797
tert-butyl 2-(4,4-difluorocyclohexyl)-5-oxopyrrolidine-1-carboxylate
CID 146633700
tert-butyl 2-[(4-fluorophenoxy)methyl]-5-oxopyrrolidine-1-carboxylate
CID 54297030
tert-butyl (2R)-2-methoxy-5-oxopyrrolidine-1-carboxylate
CID 99978734
tert-butyl 2-oxo-5-[(4-phenylphenyl)methyl]pyrrolidine-1-carboxylate;ethane
CID 145264211
tert-butyl 2-(dodecylsulfanylmethyl)-5-oxopyrrolidine-1-carboxylate
CID 71116020
tert-butyl (5R)-2-oxo-5-[2-(4-phenylphenyl)ethyl]pyrrolidine-1-carboxylate
CID 126684515
tert-butyl (2S)-2-[[tert-butyl(diphenyl)silyl]oxymethyl]-5-oxopyrrolidine-1-carboxylate
CID 11762195
tert-butyl 2-[(4-bromo-2-chlorophenyl)methyl]-5-oxopyrrolidine-1-carboxylate
CID 118261018

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate (CID 150069068) is tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1C(=O)CC[C@H]1CN1CCC2(CC1)CC2(F)F.
What is the InChIKey of tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate?
The InChIKey is DOWSPPIZTHGSRM-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H26F2N2O3/c1-15(2,3)24-14(23)21-12(4-5-13(21)22)10-20-8-6-16(7-9-20)11-17(16,18)19/h12H,4-11H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate?
tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate has a molecular weight of 344.40 g/mol, XLogP of 3.03, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2,2-difluoro-6-azaspiro[2.5]octan-6-yl)methyl]-5-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 150069068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).