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

C10H17F3N2O3 — CID 55009949

IUPAC3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-14(6-5-8(16)17)9(18)15(4-2)7-10(11,12)13/h3-7H2,1-2H3,(H,16,17)
InChIKeyZMUOICWNVDFARI-UHFFFAOYSA-N
MW270.25 g/mol
LogP1.79
Rot. Bonds6

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

3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (PubChem CID 55009949) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is 3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
PubChem CID55009949
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Name3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CCC(=O)O)C(=O)N(CC)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-14(6-5-8(16)17)9(18)15(4-2)7-10(11,12)13/h3-7H2,1-2H3,(H,16,17)
InChIKeyZMUOICWNVDFARI-UHFFFAOYSA-N
XLogP1.79
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (CID 55009949) is 3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is CCN(CCC(=O)O)C(=O)N(CC)CC(F)(F)F.
What is the InChIKey of 3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The InChIKey is ZMUOICWNVDFARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-3-14(6-5-8(16)17)9(18)15(4-2)7-10(11,12)13/h3-7H2,1-2H3,(H,16,17).
What are the key properties of 3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid has a molecular weight of 270.25 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 55009949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).