methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate

C9H15F3N2O3 — CID 113230187

IUPACmethyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-3-4-14(5-7(15)17-2)8(16)13-6-9(10,11)12/h3-6H2,1-2H3,(H,13,16)
InChIKeyVSZJLWHFJJWMJF-UHFFFAOYSA-N
MW256.22 g/mol
LogP1.14
Rot. Bonds5

About methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate

methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate (PubChem CID 113230187) has the molecular formula C9H15F3N2O3 and a molecular weight of 256.22 g/mol. Its IUPAC name is methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
PubChem CID113230187
Molecular FormulaC9H15F3N2O3
Molecular Weight256.22 g/mol
Exact Mass256.10
IUPAC Namemethyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate
SMILESCCCN(CC(=O)OC)C(=O)NCC(F)(F)F
InChIInChI=1S/C9H15F3N2O3/c1-3-4-14(5-7(15)17-2)8(16)13-6-9(10,11)12/h3-6H2,1-2H3,(H,13,16)
InChIKeyVSZJLWHFJJWMJF-UHFFFAOYSA-N
XLogP1.14
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.22
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The IUPAC name of methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate (CID 113230187) is methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate.
What is the SMILES notation for methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The canonical SMILES for methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate is CCCN(CC(=O)OC)C(=O)NCC(F)(F)F.
What is the InChIKey of methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
The InChIKey is VSZJLWHFJJWMJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O3/c1-3-4-14(5-7(15)17-2)8(16)13-6-9(10,11)12/h3-6H2,1-2H3,(H,13,16).
What are the key properties of methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate?
methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate has a molecular weight of 256.22 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[propyl(2,2,2-trifluoroethylcarbamoyl)amino]acetate is sourced from PubChem (CID 113230187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).