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

C12H21F3N2O2 — CID 63910540

IUPAC2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCNC(CN(CC)CC(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C12H21F3N2O2/c1-3-16-11(10(18)19,9-5-6-9)7-17(4-2)8-12(13,14)15/h9,16H,3-8H2,1-2H3,(H,18,19)
InChIKeyGNXWEWJDLMIXFD-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.71
Rot. Bonds8

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

2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 63910540) has the molecular formula C12H21F3N2O2 and a molecular weight of 282.31 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID63910540
Molecular FormulaC12H21F3N2O2
Molecular Weight282.31 g/mol
Exact Mass282.16
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCNC(CN(CC)CC(F)(F)F)(C(=O)O)C1CC1
InChIInChI=1S/C12H21F3N2O2/c1-3-16-11(10(18)19,9-5-6-9)7-17(4-2)8-12(13,14)15/h9,16H,3-8H2,1-2H3,(H,18,19)
InChIKeyGNXWEWJDLMIXFD-UHFFFAOYSA-N
XLogP1.71
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 63910540) is 2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid is CCNC(CN(CC)CC(F)(F)F)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is GNXWEWJDLMIXFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O2/c1-3-16-11(10(18)19,9-5-6-9)7-17(4-2)8-12(13,14)15/h9,16H,3-8H2,1-2H3,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 282.31 g/mol, XLogP of 1.71, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(ethylamino)-3-[ethyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 63910540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).