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

C11H17F3N2O3 — CID 82002414

IUPAC3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CC(F)(F)F)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-16(6-11(12,13)14)10(19)15-8(5-9(17)18)7-3-4-7/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyMLCVIHVIEUJXKP-UHFFFAOYSA-N
MW282.26 g/mol
LogP1.83
Rot. Bonds6

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

3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (PubChem CID 82002414) has the molecular formula C11H17F3N2O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.

Molecular Properties

Compound Name3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
PubChem CID82002414
Molecular FormulaC11H17F3N2O3
Molecular Weight282.26 g/mol
Exact Mass282.12
IUPAC Name3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid
SMILESCCN(CC(F)(F)F)C(=O)NC(CC(=O)O)C1CC1
InChIInChI=1S/C11H17F3N2O3/c1-2-16(6-11(12,13)14)10(19)15-8(5-9(17)18)7-3-4-7/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18)
InChIKeyMLCVIHVIEUJXKP-UHFFFAOYSA-N
XLogP1.83
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The IUPAC name of 3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid (CID 82002414) is 3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid.
What is the SMILES notation for 3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The canonical SMILES for 3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is CCN(CC(F)(F)F)C(=O)NC(CC(=O)O)C1CC1.
What is the InChIKey of 3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
The InChIKey is MLCVIHVIEUJXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3N2O3/c1-2-16(6-11(12,13)14)10(19)15-8(5-9(17)18)7-3-4-7/h7-8H,2-6H2,1H3,(H,15,19)(H,17,18).
What are the key properties of 3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid?
3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid has a molecular weight of 282.26 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-3-[[ethyl(2,2,2-trifluoroethyl)carbamoyl]amino]propanoic acid is sourced from PubChem (CID 82002414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).