4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid

C8H15F3N2O2 — CID 64693783

IUPAC4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCCN(CC(F)(F)F)C(CCN)C(=O)O
InChIInChI=1S/C8H15F3N2O2/c1-2-13(5-8(9,10)11)6(3-4-12)7(14)15/h6H,2-5,12H2,1H3,(H,14,15)
InChIKeyASRHPQRZFVYRNC-UHFFFAOYSA-N
MW228.21 g/mol
LogP0.67
Rot. Bonds6

About 4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid

4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid (PubChem CID 64693783) has the molecular formula C8H15F3N2O2 and a molecular weight of 228.21 g/mol. Its IUPAC name is 4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid.

Molecular Properties

Compound Name4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
PubChem CID64693783
Molecular FormulaC8H15F3N2O2
Molecular Weight228.21 g/mol
Exact Mass228.11
IUPAC Name4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCCN(CC(F)(F)F)C(CCN)C(=O)O
InChIInChI=1S/C8H15F3N2O2/c1-2-13(5-8(9,10)11)6(3-4-12)7(14)15/h6H,2-5,12H2,1H3,(H,14,15)
InChIKeyASRHPQRZFVYRNC-UHFFFAOYSA-N
XLogP0.67
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.21
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-bis(diethylamino)hexanedioic acid
CID 175154471
2-[ethyl(2,2,2-trifluoroethyl)amino]-1-phenylbutan-1-one
CID 55010357
(2R)-2-(diethylamino)pentanoic acid
CID 30030442
2,7-bis(diethylamino)octanedioic acid
CID 175151576
3-methoxy-2-[propyl(2,2,2-trifluoroethyl)amino]propanoic acid
CID 103224693
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)pentane-1,2-diamine
CID 78974638
2-(diethylamino)heptanoic acid
CID 43803668
tert-butyl 2-[ethyl(2,2,2-trifluoroethyl)amino]propanoate
CID 64686559
2-[1-aminopentan-3-yl(2,2,2-trifluoroethyl)amino]ethanol
CID 107478931
3-[ethyl(2,2,2-trifluoroethyl)amino]-2-methylbutanehydrazide
CID 79409219
4-amino-2-[3,3-dimethylbutan-2-yl(methyl)amino]butanoic acid
CID 64693991
2-N-ethyl-2-N-(2,2,2-trifluoroethyl)heptane-1,2-diamine
CID 114998355

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The IUPAC name of 4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid (CID 64693783) is 4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid.
What is the SMILES notation for 4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The canonical SMILES for 4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid is CCN(CC(F)(F)F)C(CCN)C(=O)O.
What is the InChIKey of 4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The InChIKey is ASRHPQRZFVYRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3N2O2/c1-2-13(5-8(9,10)11)6(3-4-12)7(14)15/h6H,2-5,12H2,1H3,(H,14,15).
What are the key properties of 4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid has a molecular weight of 228.21 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid is sourced from PubChem (CID 64693783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).