2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid

C13H23F3N2O2 — CID 106805882

IUPAC2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid
SMILESCCC(CCCN(C)CC(F)(F)F)(NC1CC1)C(=O)O
InChIInChI=1S/C13H23F3N2O2/c1-3-12(11(19)20,17-10-5-6-10)7-4-8-18(2)9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,19,20)
InChIKeyGRWIMCRUUCIURT-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.25
Rot. Bonds9

About 2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid

2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid (PubChem CID 106805882) has the molecular formula C13H23F3N2O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid
PubChem CID106805882
Molecular FormulaC13H23F3N2O2
Molecular Weight296.33 g/mol
Exact Mass296.17
IUPAC Name2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid
SMILESCCC(CCCN(C)CC(F)(F)F)(NC1CC1)C(=O)O
InChIInChI=1S/C13H23F3N2O2/c1-3-12(11(19)20,17-10-5-6-10)7-4-8-18(2)9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,19,20)
InChIKeyGRWIMCRUUCIURT-UHFFFAOYSA-N
XLogP2.25
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 ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The IUPAC name of 2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid (CID 106805882) is 2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid.
What is the SMILES notation for 2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The canonical SMILES for 2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid is CCC(CCCN(C)CC(F)(F)F)(NC1CC1)C(=O)O.
What is the InChIKey of 2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The InChIKey is GRWIMCRUUCIURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3N2O2/c1-3-12(11(19)20,17-10-5-6-10)7-4-8-18(2)9-13(14,15)16/h10,17H,3-9H2,1-2H3,(H,19,20).
What are the key properties of 2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid?
2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid has a molecular weight of 296.33 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-2-ethyl-5-[methyl(2,2,2-trifluoroethyl)amino]pentanoic acid is sourced from PubChem (CID 106805882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).