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

C13H23F3N2O2 — CID 63909761

IUPAC2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCCN(CC(F)(F)F)CC(NCC)(C(=O)O)C1CC1
InChIInChI=1S/C13H23F3N2O2/c1-3-7-18(9-13(14,15)16)8-12(11(19)20,17-4-2)10-5-6-10/h10,17H,3-9H2,1-2H3,(H,19,20)
InChIKeyVARMVCMHAFZZEO-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.10
Rot. Bonds9

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

2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid (PubChem CID 63909761) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
PubChem CID63909761
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
SMILESCCCN(CC(F)(F)F)CC(NCC)(C(=O)O)C1CC1
InChIInChI=1S/C13H23F3N2O2/c1-3-7-18(9-13(14,15)16)8-12(11(19)20,17-4-2)10-5-6-10/h10,17H,3-9H2,1-2H3,(H,19,20)
InChIKeyVARMVCMHAFZZEO-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.10
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-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The IUPAC name of 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid (CID 63909761) is 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid.
What is the SMILES notation for 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The canonical SMILES for 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid is CCCN(CC(F)(F)F)CC(NCC)(C(=O)O)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
The InChIKey is VARMVCMHAFZZEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-7-18(9-13(14,15)16)8-12(11(19)20,17-4-2)10-5-6-10/h10,17H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid?
2-cyclopropyl-2-(ethylamino)-3-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid has a molecular weight of 296.33 g/mol, XLogP of 2.10, 9 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-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid is sourced from PubChem (CID 63909761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).