methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate

C10H17F3N2O3 — CID 113463047

IUPACmethyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate
SMILESCCCC(C)(NC(=O)NCC(F)(F)F)C(=O)OC
InChIInChI=1S/C10H17F3N2O3/c1-4-5-9(2,7(16)18-3)15-8(17)14-6-10(11,12)13/h4-6H2,1-3H3,(H2,14,15,17)
InChIKeyOSYOMTIZOXAWNX-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.58
Rot. Bonds5

About methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate

methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate (PubChem CID 113463047) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate
PubChem CID113463047
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Namemethyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate
SMILESCCCC(C)(NC(=O)NCC(F)(F)F)C(=O)OC
InChIInChI=1S/C10H17F3N2O3/c1-4-5-9(2,7(16)18-3)15-8(17)14-6-10(11,12)13/h4-6H2,1-3H3,(H2,14,15,17)
InChIKeyOSYOMTIZOXAWNX-UHFFFAOYSA-N
XLogP1.58
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-methyl-2-(propylcarbamoylamino)pentanoate
CID 43624107
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CID 103021738
methyl 2-(ethylamino)-2-methylpentanoate
CID 60788198
methyl 2-(hydroxyamino)-2-methylpentanoate
CID 131859710
methyl 2-methyl-2-[(2-methylsulfanylacetyl)amino]pentanoate
CID 43431441
methyl 2-(3-methoxypropanoylamino)-2-methylpentanoate
CID 62591168
methyl 2-[[2-(4-fluorophenoxy)-2-methylpropanoyl]amino]-2-methylpentanoate
CID 78851528
1-[3-(hydroxymethyl)pentan-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 111430125
methyl (2S)-2-benzamido-2-methylpentanoate
CID 141268711
methyl 2-methyl-2-[4-(methylamino)butanoylamino]pentanoate
CID 119729099
methyl 2-[(4-fluoro-2-methylbenzoyl)amino]-2-methylpentanoate
CID 115745717

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate?
The IUPAC name of methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate (CID 113463047) is methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate.
What is the SMILES notation for methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate?
The canonical SMILES for methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate is CCCC(C)(NC(=O)NCC(F)(F)F)C(=O)OC.
What is the InChIKey of methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate?
The InChIKey is OSYOMTIZOXAWNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-4-5-9(2,7(16)18-3)15-8(17)14-6-10(11,12)13/h4-6H2,1-3H3,(H2,14,15,17).
What are the key properties of methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate?
methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate has a molecular weight of 270.25 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2,2,2-trifluoroethylcarbamoylamino)pentanoate is sourced from PubChem (CID 113463047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).