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

C11H13F3N2O4 — CID 79266511

IUPAC2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCCc1ccco1
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)7-16(6-9(17)18)10(19)15-4-3-8-2-1-5-20-8/h1-2,5H,3-4,6-7H2,(H,15,19)(H,17,18)
InChIKeyBSPZDXALZWZHDL-UHFFFAOYSA-N
MW294.23 g/mol
LogP1.48
Rot. Bonds6

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

2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79266511) has the molecular formula C11H13F3N2O4 and a molecular weight of 294.23 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79266511
Molecular FormulaC11H13F3N2O4
Molecular Weight294.23 g/mol
Exact Mass294.08
IUPAC Name2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
SMILESO=C(O)CN(CC(F)(F)F)C(=O)NCCc1ccco1
InChIInChI=1S/C11H13F3N2O4/c12-11(13,14)7-16(6-9(17)18)10(19)15-4-3-8-2-1-5-20-8/h1-2,5H,3-4,6-7H2,(H,15,19)(H,17,18)
InChIKeyBSPZDXALZWZHDL-UHFFFAOYSA-N
XLogP1.48
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.23
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[ethyl(furan-2-ylmethyl)carbamoyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263712
2-[[2-(furan-2-carbonylamino)acetyl]-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79264824
2-[2,2,2-trifluoroethyl(2,2,2-trifluoroethylcarbamoyl)amino]acetic acid
CID 79266783
2-[pentylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258372
N-[2-(furan-2-yl)ethyl]-2-methylprop-2-enamide
CID 178173949
2-[(4-methylphenyl)methylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79263453
3,3,3-trifluoro-N-[2-(furan-2-yl)ethyl]propan-1-amine
CID 60695393
2-[2-[furan-2-ylmethyl(2,2,2-trifluoroethyl)amino]-2-oxoethoxy]acetic acid
CID 61328447
2-[3-(ethylamino)propylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265962
2-[2-ethoxyethylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
CID 79265881
2-bromo-N-[2-(furan-2-yl)ethyl]acetamide
CID 63679731
3-[2-(furan-2-yl)ethylamino]-2-methyl-3-oxopropanoic acid
CID 114897735

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid (CID 79266511) is 2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[2-(furan-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-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is BSPZDXALZWZHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2O4/c12-11(13,14)7-16(6-9(17)18)10(19)15-4-3-8-2-1-5-20-8/h1-2,5H,3-4,6-7H2,(H,15,19)(H,17,18).
What are the key properties of 2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid?
2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 294.23 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)ethylcarbamoyl-(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79266511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).