methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate

C6H9F3N2O3 — CID 146530860

IUPACmethyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate
SMILESCOC(=O)CN(CC(F)(F)F)C(N)=O
InChIInChI=1S/C6H9F3N2O3/c1-14-4(12)2-11(5(10)13)3-6(7,8)9/h2-3H2,1H3,(H2,10,13)
InChIKeySSZLDOMPNUKCRB-UHFFFAOYSA-N
MW214.14 g/mol
LogP0.10
Rot. Bonds3

About methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate

methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate (PubChem CID 146530860) has the molecular formula C6H9F3N2O3 and a molecular weight of 214.14 g/mol. Its IUPAC name is methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate
PubChem CID146530860
Molecular FormulaC6H9F3N2O3
Molecular Weight214.14 g/mol
Exact Mass214.06
IUPAC Namemethyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate
SMILESCOC(=O)CN(CC(F)(F)F)C(N)=O
InChIInChI=1S/C6H9F3N2O3/c1-14-4(12)2-11(5(10)13)3-6(7,8)9/h2-3H2,1H3,(H2,10,13)
InChIKeySSZLDOMPNUKCRB-UHFFFAOYSA-N
XLogP0.10
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.14
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 55028746
Ethyl 2-(2,2,2-trifluoroethylcarbamoylamino)acetate
CID 43384954
Ethyl 2-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
CID 54948797
Ethyl 2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]acetate
CID 60890848
Methyl 2-[ethyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 61586304
2-[[(2-Methoxy-2-oxoethyl)-methylcarbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257793
2-[Carbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258062
2-[(2-Methoxy-2-oxoethyl)carbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258950
2-[[Ethyl-(2-methoxy-2-oxoethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266516
2-[2-Methoxyethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79272439
Methyl 2-[(2,2-difluoroacetyl)-methylamino]acetate
CID 103514323
Methyl 2-[(2,2-difluoroacetyl)-ethylamino]acetate
CID 103514338

Frequently Asked Questions

What is the IUPAC name of methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate?
The IUPAC name of methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate (CID 146530860) is methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate.
What is the SMILES notation for methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate?
The canonical SMILES for methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate is COC(=O)CN(CC(F)(F)F)C(N)=O.
What is the InChIKey of methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate?
The InChIKey is SSZLDOMPNUKCRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3N2O3/c1-14-4(12)2-11(5(10)13)3-6(7,8)9/h2-3H2,1H3,(H2,10,13).
What are the key properties of methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate?
methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate has a molecular weight of 214.14 g/mol, XLogP of 0.10, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[carbamoyl(2,2,2-trifluoroethyl)amino]acetate is sourced from PubChem (CID 146530860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).