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

C8H11F3N2O5 — CID 61329833

IUPAC2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(CC(F)(F)F)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C8H11F3N2O5/c1-13(4-8(9,10)11)7(17)12-5(14)2-18-3-6(15)16/h2-4H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyQHUPZTNNHXUSOX-UHFFFAOYSA-N
MW272.18 g/mol
LogP-0.18
Rot. Bonds5

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

2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid (PubChem CID 61329833) has the molecular formula C8H11F3N2O5 and a molecular weight of 272.18 g/mol. Its IUPAC name is 2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid.

Molecular Properties

Compound Name2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
PubChem CID61329833
Molecular FormulaC8H11F3N2O5
Molecular Weight272.18 g/mol
Exact Mass272.06
IUPAC Name2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid
SMILESCN(CC(F)(F)F)C(=O)NC(=O)COCC(=O)O
InChIInChI=1S/C8H11F3N2O5/c1-13(4-8(9,10)11)7(17)12-5(14)2-18-3-6(15)16/h2-4H2,1H3,(H,15,16)(H,12,14,17)
InChIKeyQHUPZTNNHXUSOX-UHFFFAOYSA-N
XLogP-0.18
TPSA95.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The IUPAC name of 2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid (CID 61329833) is 2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid.
What is the SMILES notation for 2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The canonical SMILES for 2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid is CN(CC(F)(F)F)C(=O)NC(=O)COCC(=O)O.
What is the InChIKey of 2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
The InChIKey is QHUPZTNNHXUSOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N2O5/c1-13(4-8(9,10)11)7(17)12-5(14)2-18-3-6(15)16/h2-4H2,1H3,(H,15,16)(H,12,14,17).
What are the key properties of 2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid?
2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid has a molecular weight of 272.18 g/mol, XLogP of -0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-oxoethoxy]acetic acid is sourced from PubChem (CID 61329833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).