methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate

C12H19F3N2O3 — CID 115448091

IUPACmethyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C1(CN)CCC1
InChIInChI=1S/C12H19F3N2O3/c1-20-9(18)3-6-17(8-12(13,14)15)10(19)11(7-16)4-2-5-11/h2-8,16H2,1H3
InChIKeyQWNILCGLNQENCJ-UHFFFAOYSA-N
MW296.29 g/mol
LogP1.07
Rot. Bonds6

About methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 115448091) has the molecular formula C12H19F3N2O3 and a molecular weight of 296.29 g/mol. Its IUPAC name is methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID115448091
Molecular FormulaC12H19F3N2O3
Molecular Weight296.29 g/mol
Exact Mass296.13
IUPAC Namemethyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate
SMILESCOC(=O)CCN(CC(F)(F)F)C(=O)C1(CN)CCC1
InChIInChI=1S/C12H19F3N2O3/c1-20-9(18)3-6-17(8-12(13,14)15)10(19)11(7-16)4-2-5-11/h2-8,16H2,1H3
InChIKeyQWNILCGLNQENCJ-UHFFFAOYSA-N
XLogP1.07
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate with MolForge

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Related Compounds

methyl 3-[[2-[1-(aminomethyl)cyclobutyl]acetyl]-(2,2,2-trifluoroethyl)amino]propanoate
CID 81172635
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclobutane-1-carboxamide
CID 115448195
1-(aminomethyl)-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cycloheptane-1-carboxamide
CID 115443914
methyl 3-[(4-methylpiperidine-4-carbonyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 63122134
1-(aminomethyl)-N-butyl-N-(2,2,2-trifluoroethyl)cyclopropane-1-carboxamide
CID 113312851
methyl 3-[cyclopropanecarbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794433
3-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-3-oxopropanoic acid
CID 55049303
methyl 3-[butanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60794156
methyl 3-[(4-amino-3-methoxybutanoyl)-(2,2,2-trifluoroethyl)amino]propanoate
CID 103155182
4-[(3-methoxy-3-oxopropyl)-(2,2,2-trifluoroethyl)amino]-2,3-dimethyl-4-oxobut-2-enoic acid
CID 76992609
methyl 3-[2-chloropropanoyl(2,2,2-trifluoroethyl)amino]propanoate
CID 54875687
methyl 3-[piperidine-2-carbonyl(2,2,2-trifluoroethyl)amino]propanoate
CID 60947149

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate (CID 115448091) is methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate is COC(=O)CCN(CC(F)(F)F)C(=O)C1(CN)CCC1.
What is the InChIKey of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is QWNILCGLNQENCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3N2O3/c1-20-9(18)3-6-17(8-12(13,14)15)10(19)11(7-16)4-2-5-11/h2-8,16H2,1H3.
What are the key properties of methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 296.29 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-(aminomethyl)cyclobutanecarbonyl]-(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 115448091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).