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

C10H19F3N2O2 — CID 63055482

IUPAC2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCCNC(CCN(CC)CC(F)(F)F)C(=O)O
InChIInChI=1S/C10H19F3N2O2/c1-3-14-8(9(16)17)5-6-15(4-2)7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyWFMKIEZAUPLIKN-UHFFFAOYSA-N
MW256.27 g/mol
LogP1.32
Rot. Bonds8

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

2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid (PubChem CID 63055482) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid.

Molecular Properties

Compound Name2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
PubChem CID63055482
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC Name2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid
SMILESCCNC(CCN(CC)CC(F)(F)F)C(=O)O
InChIInChI=1S/C10H19F3N2O2/c1-3-14-8(9(16)17)5-6-15(4-2)7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,16,17)
InChIKeyWFMKIEZAUPLIKN-UHFFFAOYSA-N
XLogP1.32
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[ethyl(2,2,2-trifluoroethyl)amino]-2-(methylamino)butanoic acid
CID 63055306
methyl 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoate
CID 63053198
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-1-ol
CID 64828287
1-N,3-N-diethyl-4,4-dimethyl-1-N-(2,2,2-trifluoroethyl)pentane-1,3-diamine
CID 62624262
2-(ethylamino)-4-(2,2,2-trifluoroethoxy)butanoic acid
CID 63039882
2-(ethylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanamide
CID 55144695
1-amino-4-[ethyl(2,2,2-trifluoroethyl)amino]butan-2-ol
CID 64821124
(2S)-4-amino-2-(ethylamino)butanoic acid
CID 89433986
(2S)-4-(diethylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CID 95298292
4-[cyclopentyl(methyl)amino]-2-(ethylamino)butanoic acid
CID 63027278
4-[butan-2-yl(butyl)amino]-2-(ethylamino)butanoic acid
CID 63053630
2-(ethylamino)-4-[methyl(2-propan-2-yloxyethyl)amino]butanoic acid
CID 81062128

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The IUPAC name of 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid (CID 63055482) is 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid.
What is the SMILES notation for 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The canonical SMILES for 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid is CCNC(CCN(CC)CC(F)(F)F)C(=O)O.
What is the InChIKey of 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
The InChIKey is WFMKIEZAUPLIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-3-14-8(9(16)17)5-6-15(4-2)7-10(11,12)13/h8,14H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid?
2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid has a molecular weight of 256.27 g/mol, XLogP of 1.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[ethyl(2,2,2-trifluoroethyl)amino]butanoic acid is sourced from PubChem (CID 63055482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).