2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide

C27H38F5N5O5 — CID 167481029

IUPAC2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide
SMILESC[C@H](CC(=O)N1CC2C(C1)C2(C)C)OC1CC(F)(F)C1.N#CC(CC1CC2(CC2)NC1=O)C(N)=O.NC(=O)C(F)(F)F
InChIInChI=1S/C15H23F2NO2.C10H13N3O2.C2H2F3NO/c1-9(20-10-5-15(16,17)6-10)4-13(19)18-7-11-12(8-18)14(11,2)3;11-5-7(8(12)14)3-6-4-10(1-2-10)13-9(6)15;3-2(4,5)1(6)7/h9-12H,4-8H2,1-3H3;6-7H,1-4H2,(H2,12,14)(H,13,15);(H2,6,7)/t9-,11?,12?;;/m1../s1
InChIKeyOLHORRNUYLJVNS-ISFQXWKJSA-N
MW607.62 g/mol
LogP2.40
Rot. Bonds7

About 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide

2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide (PubChem CID 167481029) has the molecular formula C27H38F5N5O5 and a molecular weight of 607.62 g/mol. Its IUPAC name is 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide.

Molecular Properties

Compound Name2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide
PubChem CID167481029
Molecular FormulaC27H38F5N5O5
Molecular Weight607.62 g/mol
Exact Mass607.28
IUPAC Name2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide
SMILESC[C@H](CC(=O)N1CC2C(C1)C2(C)C)OC1CC(F)(F)C1.N#CC(CC1CC2(CC2)NC1=O)C(N)=O.NC(=O)C(F)(F)F
InChIInChI=1S/C15H23F2NO2.C10H13N3O2.C2H2F3NO/c1-9(20-10-5-15(16,17)6-10)4-13(19)18-7-11-12(8-18)14(11,2)3;11-5-7(8(12)14)3-6-4-10(1-2-10)13-9(6)15;3-2(4,5)1(6)7/h9-12H,4-8H2,1-3H3;6-7H,1-4H2,(H2,12,14)(H,13,15);(H2,6,7)/t9-,11?,12?;;/m1../s1
InChIKeyOLHORRNUYLJVNS-ISFQXWKJSA-N
XLogP2.40
TPSA168.61 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500607.62
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide with MolForge

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Related Compounds

N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;2,2,2-trifluoroacetamide
CID 167480958
(3R)-3-cyclopropyloxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide
CID 167480977
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;(3R)-3-(difluoromethoxy)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide
CID 167481039
N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]formamide;(3R)-3-(1-cyclopropylcyclopropyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;ethane;2,2,2-trifluoroacetamide
CID 167481055
N-[1-cyano-2-(5,5-dimethyl-2-oxopyrrolidin-3-yl)ethyl]formamide;(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;1-(trifluoromethyl)cyclopropane-1-carboxamide
CID 167481105
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;(3R)-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutan-1-one;2,2,2-trifluoroacetamide
CID 167481111
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]formamide;(3R)-3-(difluoromethoxy)-1-[(2R)-2,6,6-trimethyl-3-azabicyclo[3.1.0]hexan-3-yl]butan-1-one;2,2,2-trifluoroacetamide
CID 167481164
1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-[(2-methylpropan-2-yl)oxy]butan-1-one;(2S)-2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;2,2,2-trifluoroacetamide
CID 167481174
(2S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-6,6-dimethyl-3-[(2S,3R)-3-(1-methylcyclobutyl)oxy-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-azatricyclo[3.1.1.01,5]heptane-2-carboxamide
CID 167481198
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-6,6-dimethyl-3-[3-[(2-methylpropan-2-yl)oxy]-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167481231
(1R,2S,5S)-3-[(2S,3R)-2-amino-3-(1,1,1-trifluoro-2-methylpropan-2-yl)oxybutanoyl]-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167481261
(1R,2S,5S)-3-[(2S,3R)-2-amino-3-(2,2,2-trifluoroethoxy)butanoyl]-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167481287

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide?
The IUPAC name of 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide (CID 167481029) is 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide.
What is the SMILES notation for 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide?
The canonical SMILES for 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide is C[C@H](CC(=O)N1CC2C(C1)C2(C)C)OC1CC(F)(F)C1.N#CC(CC1CC2(CC2)NC1=O)C(N)=O.NC(=O)C(F)(F)F.
What is the InChIKey of 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide?
The InChIKey is OLHORRNUYLJVNS-ISFQXWKJSA-N. The full InChI is InChI=1S/C15H23F2NO2.C10H13N3O2.C2H2F3NO/c1-9(20-10-5-15(16,17)6-10)4-13(19)18-7-11-12(8-18)14(11,2)3;11-5-7(8(12)14)3-6-4-10(1-2-10)13-9(6)15;3-2(4,5)1(6)7/h9-12H,4-8H2,1-3H3;6-7H,1-4H2,(H2,12,14)(H,13,15);(H2,6,7)/t9-,11?,12?;;/m1../s1.
What are the key properties of 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide?
2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide has a molecular weight of 607.62 g/mol, XLogP of 2.40, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-(3,3-difluorocyclobutyl)oxy-1-(6,6-dimethyl-3-azabicyclo[3.1.0]hexan-3-yl)butan-1-one;2,2,2-trifluoroacetamide is sourced from PubChem (CID 167481029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).