2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid

C13H25F3N2O2 — CID 106805904

IUPAC2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
SMILESCCC(CCCN(CC(F)(F)F)C(C)C)(NC)C(=O)O
InChIInChI=1S/C13H25F3N2O2/c1-5-12(17-4,11(19)20)7-6-8-18(10(2)3)9-13(14,15)16/h10,17H,5-9H2,1-4H3,(H,19,20)
InChIKeyXTLMEXMREIIQMQ-UHFFFAOYSA-N
MW298.35 g/mol
LogP2.49
Rot. Bonds9

About 2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid

2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid (PubChem CID 106805904) has the molecular formula C13H25F3N2O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid.

Molecular Properties

Compound Name2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
PubChem CID106805904
Molecular FormulaC13H25F3N2O2
Molecular Weight298.35 g/mol
Exact Mass298.19
IUPAC Name2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid
SMILESCCC(CCCN(CC(F)(F)F)C(C)C)(NC)C(=O)O
InChIInChI=1S/C13H25F3N2O2/c1-5-12(17-4,11(19)20)7-6-8-18(10(2)3)9-13(14,15)16/h10,17H,5-9H2,1-4H3,(H,19,20)
InChIKeyXTLMEXMREIIQMQ-UHFFFAOYSA-N
XLogP2.49
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The IUPAC name of 2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid (CID 106805904) is 2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid.
What is the SMILES notation for 2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The canonical SMILES for 2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid is CCC(CCCN(CC(F)(F)F)C(C)C)(NC)C(=O)O.
What is the InChIKey of 2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
The InChIKey is XTLMEXMREIIQMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F3N2O2/c1-5-12(17-4,11(19)20)7-6-8-18(10(2)3)9-13(14,15)16/h10,17H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid?
2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid has a molecular weight of 298.35 g/mol, XLogP of 2.49, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-(methylamino)-5-[propan-2-yl(2,2,2-trifluoroethyl)amino]pentanoic acid is sourced from PubChem (CID 106805904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).