2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane

C25H42F3N5O6 — CID 167481249

IUPAC2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2C(C1)C2(C)C.CO[C@H](C)CC=O.NC(=O)C(CC1CC2(CC2)NC1=O)NC=O.NC(=O)C(F)(F)F
InChIInChI=1S/C10H15N3O3.C8H15N.C5H10O2.C2H2F3NO/c11-8(15)7(12-5-14)3-6-4-10(1-2-10)13-9(6)16;1-8(2)6-4-9(3)5-7(6)8;1-5(7-2)3-4-6;3-2(4,5)1(6)7/h5-7H,1-4H2,(H2,11,15)(H,12,14)(H,13,16);6-7H,4-5H2,1-3H3;4-5H,3H2,1-2H3;(H2,6,7)/t;;5-;/m..1./s1
InChIKeyMOWGRVUIWQISGS-QYTQWYBTSA-N
MW565.63 g/mol
LogP0.49
Rot. Bonds8

About 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane

2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane (PubChem CID 167481249) has the molecular formula C25H42F3N5O6 and a molecular weight of 565.63 g/mol. Its IUPAC name is 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane
PubChem CID167481249
Molecular FormulaC25H42F3N5O6
Molecular Weight565.63 g/mol
Exact Mass565.31
IUPAC Name2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane
SMILESCN1CC2C(C1)C2(C)C.CO[C@H](C)CC=O.NC(=O)C(CC1CC2(CC2)NC1=O)NC=O.NC(=O)C(F)(F)F
InChIInChI=1S/C10H15N3O3.C8H15N.C5H10O2.C2H2F3NO/c11-8(15)7(12-5-14)3-6-4-10(1-2-10)13-9(6)16;1-8(2)6-4-9(3)5-7(6)8;1-5(7-2)3-4-6;3-2(4,5)1(6)7/h5-7H,1-4H2,(H2,11,15)(H,12,14)(H,13,16);6-7H,4-5H2,1-3H3;4-5H,3H2,1-2H3;(H2,6,7)/t;;5-;/m..1./s1
InChIKeyMOWGRVUIWQISGS-QYTQWYBTSA-N
XLogP0.49
TPSA173.92 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500565.63
LogP ≤ 50.49
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane with MolForge

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Related Compounds

(1R,2S,5S)-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167203410
(1R,2S,5S)-N-[(2S)-4-(cyclopropylamino)-3,4-dioxo-1-[(3S)-2-oxopyrrolidin-3-yl]butan-2-yl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167430402
(1R,2S,5S)-3-[(2S)-2-[(2,2-difluoroacetyl)amino]-4-methylpentanoyl]-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167331611
(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-cyano-2-(5-oxo-4-azaspiro[2.4]heptan-6-yl)ethyl]-3-[3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 166840731
(1R,2S)-3-[(2S)-2-[(2,2-difluoroacetyl)amino]-2-(2-methylcyclopropyl)acetyl]-6,6-dimethyl-N-[(2S)-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167203516
1-[(1S)-1-amino-2-[(3S)-2-oxopyrrolidin-3-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 167331598
1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-[(2S)-2-[(2,2-difluoroacetyl)amino]-3,3-dimethylbutanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167331643
1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-[(2S)-3,3-dimethyl-2-[(2,2,2-trifluoroacetyl)amino]butanoyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167331649
1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-[(2S)-2-cyclopropyl-2-[(2,2-difluoroacetyl)amino]acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167331693
1-[(2S)-1-amino-1-oxo-3-[(3S)-2-oxopyrrolidin-3-yl]propan-2-yl]-3-[(2S)-2-cyclopropyl-2-[(2,2,2-trifluoroacetyl)amino]acetyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167331700
1-[(1S)-1-cyano-2-[(3S)-2-oxopyrrolidin-3-yl]ethyl]-6,6-dimethyl-3-[2-oxo-2-[[1-(trifluoromethyl)cyclopropyl]amino]acetyl]-3-azabicyclo[3.1.0]hexane-2-carboxamide
CID 167338917

Frequently Asked Questions

What is the IUPAC name of 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane (CID 167481249) is 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane is CN1CC2C(C1)C2(C)C.CO[C@H](C)CC=O.NC(=O)C(CC1CC2(CC2)NC1=O)NC=O.NC(=O)C(F)(F)F.
What is the InChIKey of 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane?
The InChIKey is MOWGRVUIWQISGS-QYTQWYBTSA-N. The full InChI is InChI=1S/C10H15N3O3.C8H15N.C5H10O2.C2H2F3NO/c11-8(15)7(12-5-14)3-6-4-10(1-2-10)13-9(6)16;1-8(2)6-4-9(3)5-7(6)8;1-5(7-2)3-4-6;3-2(4,5)1(6)7/h5-7H,1-4H2,(H2,11,15)(H,12,14)(H,13,16);6-7H,4-5H2,1-3H3;4-5H,3H2,1-2H3;(H2,6,7)/t;;5-;/m..1./s1.
What are the key properties of 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane?
2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane has a molecular weight of 565.63 g/mol, XLogP of 0.49, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-formamido-3-(5-oxo-4-azaspiro[2.4]heptan-6-yl)propanamide;(3R)-3-methoxybutanal;2,2,2-trifluoroacetamide;3,6,6-trimethyl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 167481249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).