methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate

C11H14F3NO3 — CID 162499133

IUPACmethyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate
SMILESCOC(=O)C(C)C12CC(NC(=O)C(F)(F)F)(C1)C2
InChIInChI=1S/C11H14F3NO3/c1-6(7(16)18-2)9-3-10(4-9,5-9)15-8(17)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,17)
InChIKeyRBGAXKYRJHMBOV-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.40
Rot. Bonds3

About methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate

methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate (PubChem CID 162499133) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate.

Molecular Properties

Compound Namemethyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate
PubChem CID162499133
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Namemethyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate
SMILESCOC(=O)C(C)C12CC(NC(=O)C(F)(F)F)(C1)C2
InChIInChI=1S/C11H14F3NO3/c1-6(7(16)18-2)9-3-10(4-9,5-9)15-8(17)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,17)
InChIKeyRBGAXKYRJHMBOV-UHFFFAOYSA-N
XLogP1.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate with MolForge

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Related Compounds

methyl (2S)-3,3,3-trifluoro-2-[(2,2,2-trifluoroacetyl)amino]propanoate
CID 56845696
2,2,2-trifluoro-N-(1-propan-2-ylcyclopropyl)acetamide
CID 58664910
methyl 4,4,4-trifluoro-3-oxo-2-propan-2-ylbutanoate
CID 72737807
methyl 2-(1-adamantyl)-2-[(2,2,2-trifluoroacetyl)amino]acetate
CID 2835991
methyl (2S)-5-amino-2-[(2,2,2-trifluoroacetyl)amino]hexanoate
CID 102385977
methyl 2-methylpropanoate;2,2,2-trifluoroacetic acid
CID 174483171
N-(1-bicyclo[1.1.1]pentanyl)-2,2-dimethyl-3-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanamide
CID 138690598
methyl 2-bromo-3,3,3-trifluoropropanoate
CID 2782385
methyl (2S,3R)-3-hydroxy-2-[(2,2,2-trifluoroacetyl)amino]pentanoate
CID 58583629
methyl 2-(2,2,2-trifluoroacetyl)pentanoate
CID 11042055
methyl 3-(difluoromethyl)-2,4,4,4-tetrafluorobutanoate
CID 175407875
methyl (2S,3R)-3-deuterio-2-[(2,2,2-trifluoroacetyl)amino]-3-(2,2,2-trifluoroacetyl)oxypropanoate
CID 134916413

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate?
The IUPAC name of methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate (CID 162499133) is methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate.
What is the SMILES notation for methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate?
The canonical SMILES for methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate is COC(=O)C(C)C12CC(NC(=O)C(F)(F)F)(C1)C2.
What is the InChIKey of methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate?
The InChIKey is RBGAXKYRJHMBOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-6(7(16)18-2)9-3-10(4-9,5-9)15-8(17)11(12,13)14/h6H,3-5H2,1-2H3,(H,15,17).
What are the key properties of methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate?
methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate has a molecular weight of 265.23 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[(2,2,2-trifluoroacetyl)amino]-1-bicyclo[1.1.1]pentanyl]propanoate is sourced from PubChem (CID 162499133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).