2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O4 — CID 79266264

IUPAC2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(C(=O)N(CC(=O)O)CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H17F3N2O4/c1-15(8-2-4-20-5-3-8)10(19)16(6-9(17)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyMQNDQDCFKWABRG-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.17
Rot. Bonds4

About 2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid

2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266264) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266264
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCN(C(=O)N(CC(=O)O)CC(F)(F)F)C1CCOCC1
InChIInChI=1S/C11H17F3N2O4/c1-15(8-2-4-20-5-3-8)10(19)16(6-9(17)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18)
InChIKeyMQNDQDCFKWABRG-UHFFFAOYSA-N
XLogP1.17
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266264) is 2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is CN(C(=O)N(CC(=O)O)CC(F)(F)F)C1CCOCC1.
What is the InChIKey of 2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is MQNDQDCFKWABRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c1-15(8-2-4-20-5-3-8)10(19)16(6-9(17)18)7-11(12,13)14/h8H,2-7H2,1H3,(H,17,18).
What are the key properties of 2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 298.26 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[methyl(oxan-4-yl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).