2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

C11H17F3N2O4 — CID 79266363

IUPAC2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCCC1CCCO1
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-16(6-9(17)18)10(19)15-4-3-8-2-1-5-20-8/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyNFTRQRMSQLOPHZ-UHFFFAOYSA-N
MW298.26 g/mol
LogP1.21
Rot. Bonds6

About 2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid

2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266363) has the molecular formula C11H17F3N2O4 and a molecular weight of 298.26 g/mol. Its IUPAC name is 2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266363
Molecular FormulaC11H17F3N2O4
Molecular Weight298.26 g/mol
Exact Mass298.11
IUPAC Name2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCCC1CCCO1
InChIInChI=1S/C11H17F3N2O4/c12-11(13,14)7-16(6-9(17)18)10(19)15-4-3-8-2-1-5-20-8/h8H,1-7H2,(H,15,19)(H,17,18)
InChIKeyNFTRQRMSQLOPHZ-UHFFFAOYSA-N
XLogP1.21
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266363) is 2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is O=C(O)CN(CC(F)(F)F)C(=O)NCCC1CCCO1.
What is the InChIKey of 2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is NFTRQRMSQLOPHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O4/c12-11(13,14)7-16(6-9(17)18)10(19)15-4-3-8-2-1-5-20-8/h8H,1-7H2,(H,15,19)(H,17,18).
What are the key properties of 2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 298.26 g/mol, XLogP of 1.21, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(oxolan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).