2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C9H13F3N2O4 — CID 79258213

IUPAC2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(=O)N(C)CC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c1-6(15)13(2)3-7(16)14(4-8(17)18)5-9(10,11)12/h3-5H2,1-2H3,(H,17,18)
InChIKeyABROLXOIXHYSIY-UHFFFAOYSA-N
MW270.21 g/mol
LogP-0.06
Rot. Bonds5

About 2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258213) has the molecular formula C9H13F3N2O4 and a molecular weight of 270.21 g/mol. Its IUPAC name is 2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258213
Molecular FormulaC9H13F3N2O4
Molecular Weight270.21 g/mol
Exact Mass270.08
IUPAC Name2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCC(=O)N(C)CC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C9H13F3N2O4/c1-6(15)13(2)3-7(16)14(4-8(17)18)5-9(10,11)12/h3-5H2,1-2H3,(H,17,18)
InChIKeyABROLXOIXHYSIY-UHFFFAOYSA-N
XLogP-0.06
TPSA77.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.21
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 59961165
2-[(2-methoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79261024
2-[[2-[acetyl(methyl)amino]acetyl]-methylamino]acetic acid
CID 43356271
2-[[2-[acetyl(methyl)amino]acetyl]-prop-2-ynylamino]acetic acid
CID 79278098
2-[3-acetamidopropanoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258622
2-[[2-hydroxyethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265653
2-[(2-propoxyacetyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 107938155
3-[[2-[acetyl(methyl)amino]acetyl]-methylamino]propanoic acid
CID 60989976
2-[[2-(4-methylphenyl)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79257969
2-[[cyclopropylmethyl(methyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79266036
2-[pent-4-enoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79260507
3-[[2-[acetyl(methyl)amino]acetyl]-ethylamino]propanoic acid
CID 61007980

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258213) is 2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CC(=O)N(C)CC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is ABROLXOIXHYSIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F3N2O4/c1-6(15)13(2)3-7(16)14(4-8(17)18)5-9(10,11)12/h3-5H2,1-2H3,(H,17,18).
What are the key properties of 2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 270.21 g/mol, XLogP of -0.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[acetyl(methyl)amino]acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).