2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

C8H13F3N2O3 — CID 79258387

IUPAC2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-2-3-12-7(16)13(4-6(14)15)5-8(9,10)11/h2-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyFXBHLHUHMFBDJO-UHFFFAOYSA-N
MW242.20 g/mol
LogP1.05
Rot. Bonds5

About 2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid

2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (PubChem CID 79258387) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
PubChem CID79258387
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid
SMILESCCCNC(=O)N(CC(=O)O)CC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-2-3-12-7(16)13(4-6(14)15)5-8(9,10)11/h2-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyFXBHLHUHMFBDJO-UHFFFAOYSA-N
XLogP1.05
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.20
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The IUPAC name of 2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid (CID 79258387) is 2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid.
What is the SMILES notation for 2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The canonical SMILES for 2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is CCCNC(=O)N(CC(=O)O)CC(F)(F)F.
What is the InChIKey of 2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
The InChIKey is FXBHLHUHMFBDJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-2-3-12-7(16)13(4-6(14)15)5-8(9,10)11/h2-5H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid?
2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid has a molecular weight of 242.20 g/mol, XLogP of 1.05, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[propylcarbamoyl(2,2,2-trifluoroethyl)amino]acetic acid is sourced from PubChem (CID 79258387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).