2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid

C8H13F3N2O3 — CID 63228050

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

About 2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid

2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid (PubChem CID 63228050) has the molecular formula C8H13F3N2O3 and a molecular weight of 242.20 g/mol. Its IUPAC name is 2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid.

Molecular Properties

Compound Name2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
PubChem CID63228050
Molecular FormulaC8H13F3N2O3
Molecular Weight242.20 g/mol
Exact Mass242.09
IUPAC Name2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid
SMILESCCN(CC(=O)O)C(=O)NCCC(F)(F)F
InChIInChI=1S/C8H13F3N2O3/c1-2-13(5-6(14)15)7(16)12-4-3-8(9,10)11/h2-5H2,1H3,(H,12,16)(H,14,15)
InChIKeyWSYWCLCRADAGQN-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-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
The IUPAC name of 2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid (CID 63228050) is 2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid.
What is the SMILES notation for 2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
The canonical SMILES for 2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid is CCN(CC(=O)O)C(=O)NCCC(F)(F)F.
What is the InChIKey of 2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
The InChIKey is WSYWCLCRADAGQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F3N2O3/c1-2-13(5-6(14)15)7(16)12-4-3-8(9,10)11/h2-5H2,1H3,(H,12,16)(H,14,15).
What are the key properties of 2-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid?
2-[ethyl(3,3,3-trifluoropropylcarbamoyl)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-[ethyl(3,3,3-trifluoropropylcarbamoyl)amino]acetic acid is sourced from PubChem (CID 63228050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).