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

C12H23F3N2O2 — CID 106805906

IUPAC2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid
SMILESCCN(CCCC(CC)(NC)C(=O)O)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-4-11(16-3,10(18)19)7-6-8-17(5-2)9-12(13,14)15/h16H,4-9H2,1-3H3,(H,18,19)
InChIKeyASUQNLONYMFCCB-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.10
Rot. Bonds9

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

2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid (PubChem CID 106805906) has the molecular formula C12H23F3N2O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid.

Molecular Properties

Compound Name2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid
PubChem CID106805906
Molecular FormulaC12H23F3N2O2
Molecular Weight284.32 g/mol
Exact Mass284.17
IUPAC Name2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid
SMILESCCN(CCCC(CC)(NC)C(=O)O)CC(F)(F)F
InChIInChI=1S/C12H23F3N2O2/c1-4-11(16-3,10(18)19)7-6-8-17(5-2)9-12(13,14)15/h16H,4-9H2,1-3H3,(H,18,19)
InChIKeyASUQNLONYMFCCB-UHFFFAOYSA-N
XLogP2.10
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethyl-2-(methylamino)-5-(N-methylanilino)pentanoic acid
CID 106805637
2-ethyl-5-(N-ethyl-2-methylanilino)-2-(methylamino)pentanoic acid
CID 106805572
2-ethyl-2-(ethylamino)-5-[ethyl(2,2,2-trifluoroethyl)amino]pentan-1-ol
CID 106809373
5-ethoxy-2-ethyl-2-(methylamino)pentanoic acid
CID 106806917
4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)butanoic acid
CID 63055306
2,2-dimethyl-6-[propyl(2,2,2-trifluoroethyl)amino]hexanoic acid
CID 106713942
2-ethyl-2-(methylamino)-5-[methyl(oxan-4-yl)amino]pentanoic acid
CID 106805855
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]-2-ethyl-2-(methylamino)pentanoic acid
CID 106806525
5-(2,2-difluoroethoxy)-2-ethyl-2-(methylamino)pentanoic acid
CID 106807139
2-ethyl-5-[3-(2-methoxyethoxy)propoxy]-2-(methylamino)pentanoic acid
CID 106807199
2-[3-(diethylamino)propylcarbamoylamino]-2-ethylbutanoic acid
CID 79803733
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
CID 63055482

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid?
The IUPAC name of 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid (CID 106805906) is 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid.
What is the SMILES notation for 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid?
The canonical SMILES for 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid is CCN(CCCC(CC)(NC)C(=O)O)CC(F)(F)F.
What is the InChIKey of 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid?
The InChIKey is ASUQNLONYMFCCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O2/c1-4-11(16-3,10(18)19)7-6-8-17(5-2)9-12(13,14)15/h16H,4-9H2,1-3H3,(H,18,19).
What are the key properties of 2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid?
2-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid has a molecular weight of 284.32 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-ethyl-5-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)pentanoic acid is sourced from PubChem (CID 106805906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).