3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid

C8H13F3N2O4 — CID 66168052

IUPAC3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCN(CC(F)(F)F)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H13F3N2O4/c1-2-13(4-8(9,10)11)7(17)12-3-5(14)6(15)16/h5,14H,2-4H2,1H3,(H,12,17)(H,15,16)
InChIKeyGGOGONWQHMEORK-UHFFFAOYSA-N
MW258.20 g/mol
LogP0.03
Rot. Bonds5

About 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid

3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid (PubChem CID 66168052) has the molecular formula C8H13F3N2O4 and a molecular weight of 258.20 g/mol. Its IUPAC name is 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid.

Molecular Properties

Compound Name3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid
PubChem CID66168052
Molecular FormulaC8H13F3N2O4
Molecular Weight258.20 g/mol
Exact Mass258.08
IUPAC Name3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid
SMILESCCN(CC(F)(F)F)C(=O)NCC(O)C(=O)O
InChIInChI=1S/C8H13F3N2O4/c1-2-13(4-8(9,10)11)7(17)12-3-5(14)6(15)16/h5,14H,2-4H2,1H3,(H,12,17)(H,15,16)
InChIKeyGGOGONWQHMEORK-UHFFFAOYSA-N
XLogP0.03
TPSA89.87 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.20
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The IUPAC name of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid (CID 66168052) is 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid.
What is the SMILES notation for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The canonical SMILES for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid is CCN(CC(F)(F)F)C(=O)NCC(O)C(=O)O.
What is the InChIKey of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid?
The InChIKey is GGOGONWQHMEORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O4/c1-2-13(4-8(9,10)11)7(17)12-3-5(14)6(15)16/h5,14H,2-4H2,1H3,(H,12,17)(H,15,16).
What are the key properties of 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid?
3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid has a molecular weight of 258.20 g/mol, XLogP of 0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]-2-hydroxypropanoic acid is sourced from PubChem (CID 66168052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).