N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide

C17H25N3O2 — CID 166893698

IUPACN-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide
SMILESCC1(C)CC1CCC(=O)NC(C#N)CC1CC2(CC2)NC1=O
InChIInChI=1S/C17H25N3O2/c1-16(2)9-12(16)3-4-14(21)19-13(10-18)7-11-8-17(5-6-17)20-15(11)22/h11-13H,3-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyMMMYTIOYKZUSSY-UHFFFAOYSA-N
MW303.41 g/mol
LogP1.88
Rot. Bonds6

About N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide

N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide (PubChem CID 166893698) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide.

Molecular Properties

Compound NameN-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide
PubChem CID166893698
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC NameN-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide
SMILESCC1(C)CC1CCC(=O)NC(C#N)CC1CC2(CC2)NC1=O
InChIInChI=1S/C17H25N3O2/c1-16(2)9-12(16)3-4-14(21)19-13(10-18)7-11-8-17(5-6-17)20-15(11)22/h11-13H,3-9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyMMMYTIOYKZUSSY-UHFFFAOYSA-N
XLogP1.88
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanenitrile
CID 167481421
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167480981
N-[1-[[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]amino]-3-(1-methylcyclopropyl)-1-oxopropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 162479306
(1R,2S,5S)-3-[(2S)-2-acetamido-3,3-dimethylbutanoyl]-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 163739110
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166840326
N-[1-[[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]amino]-3-cyclopropyl-1-oxopropan-2-yl]-3,3-dimethyl-2-(2,2,2-trifluoroethylamino)butanamide
CID 167482053
N-[1-[[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]amino]-4,4-dimethyl-1-oxopentan-2-yl]-5-(trifluoromethyl)-1H-pyrrole-2-carboxamide
CID 166893413
(1R,2S,3S,6R,7S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-4-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-3-carboxamide
CID 166466557
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-3-[(2S)-3,3-dimethyl-2-[[1-(trifluoromethyl)cyclobutanecarbonyl]amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167481266
(2S)-N-[(2S)-1-[[(1S)-1-cyano-2-[(6S)-5-oxo-4-azaspiro[2.5]octan-6-yl]ethyl]amino]-3-(2,2-difluorocyclopropyl)-1-oxopropan-2-yl]-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanamide
CID 166494936
(1R,2S,5S)-N-[(1S)-1-cyano-2-[(6R)-5-oxo-4-azaspiro[2.4]heptan-6-yl]ethyl]-3-[(2S,3R)-3-(difluoromethoxy)-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167481829
(2S)-2-(methylamino)-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanal
CID 167481044

Frequently Asked Questions

What is the IUPAC name of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide?
The IUPAC name of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide (CID 166893698) is N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide.
What is the SMILES notation for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide?
The canonical SMILES for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide is CC1(C)CC1CCC(=O)NC(C#N)CC1CC2(CC2)NC1=O.
What is the InChIKey of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide?
The InChIKey is MMMYTIOYKZUSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-16(2)9-12(16)3-4-14(21)19-13(10-18)7-11-8-17(5-6-17)20-15(11)22/h11-13H,3-9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide?
N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide has a molecular weight of 303.41 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-(2,2-dimethylcyclopropyl)propanamide is sourced from PubChem (CID 166893698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).