2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid

C7H8F3NO5 — CID 18683900

IUPAC2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCOC(=O)CN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO5/c1-16-5(14)3-11(2-4(12)13)6(15)7(8,9)10/h2-3H2,1H3,(H,12,13)
InChIKeyZZWQGVUOQJVOLN-UHFFFAOYSA-N
MW243.14 g/mol
LogP-0.37
Rot. Bonds4

About 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid

2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid (PubChem CID 18683900) has the molecular formula C7H8F3NO5 and a molecular weight of 243.14 g/mol. Its IUPAC name is 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
PubChem CID18683900
Molecular FormulaC7H8F3NO5
Molecular Weight243.14 g/mol
Exact Mass243.04
IUPAC Name2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
SMILESCOC(=O)CN(CC(=O)O)C(=O)C(F)(F)F
InChIInChI=1S/C7H8F3NO5/c1-16-5(14)3-11(2-4(12)13)6(15)7(8,9)10/h2-3H2,1H3,(H,12,13)
InChIKeyZZWQGVUOQJVOLN-UHFFFAOYSA-N
XLogP-0.37
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2,2-Trifluoro-N-Methylacetamido)Acetic Acid
CID 261948
Glycine, N-acetyl-N-(trifluoroacetyl)-, methyl ester
CID 537572
Ethyl 2-[(2-ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 44190410
ethyl 2-(2,2,2-trifluoro-N-methylacetamido)acetate
CID 54595828
Methyl 2-[methyl-(2,2,2-trifluoroacetyl)amino]acetate
CID 55028746
2-[(2-Ethoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 22089272
2-[2-Oxopropyl-(2,2,2-trifluoroacetyl)amino]acetic acid
CID 23539839
Methyl 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetate
CID 59882299
2-[Ethyl(2,2,2-trifluoroethyl)amino]-2-oxoacetic acid
CID 61607634
Methyl 2-(methyl(2,2,2-trifluoroethyl)amino)-2-oxoacetate
CID 86634926
Methyl 2-[ethyl(2,2,2-trifluoroethyl)amino]-2-oxoacetate
CID 89692910
Carboxymethyl-dimethyl-[2-(2,2,2-trifluoroacetyl)oxyethyl]azanium
CID 130266543

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
The IUPAC name of 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid (CID 18683900) is 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid is COC(=O)CN(CC(=O)O)C(=O)C(F)(F)F.
What is the InChIKey of 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
The InChIKey is ZZWQGVUOQJVOLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO5/c1-16-5(14)3-11(2-4(12)13)6(15)7(8,9)10/h2-3H2,1H3,(H,12,13).
What are the key properties of 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid?
2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid has a molecular weight of 243.14 g/mol, XLogP of -0.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-2-oxoethyl)-(2,2,2-trifluoroacetyl)amino]acetic acid is sourced from PubChem (CID 18683900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).