ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate

C11H21F3N2O2 — CID 55142968

IUPACethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate
SMILESCCCN(CCC(N)C(=O)OCC)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-6-16(8-11(12,13)14)7-5-9(15)10(17)18-4-2/h9H,3-8,15H2,1-2H3
InChIKeyRECQBBDUZBBWNH-UHFFFAOYSA-N
MW270.29 g/mol
LogP1.54
Rot. Bonds8

About ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate

ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate (PubChem CID 55142968) has the molecular formula C11H21F3N2O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate
PubChem CID55142968
Molecular FormulaC11H21F3N2O2
Molecular Weight270.29 g/mol
Exact Mass270.16
IUPAC Nameethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate
SMILESCCCN(CCC(N)C(=O)OCC)CC(F)(F)F
InChIInChI=1S/C11H21F3N2O2/c1-3-6-16(8-11(12,13)14)7-5-9(15)10(17)18-4-2/h9H,3-8,15H2,1-2H3
InChIKeyRECQBBDUZBBWNH-UHFFFAOYSA-N
XLogP1.54
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Amino-4-[butyl-[2-(2,2-difluoroethoxy)ethyl]amino]butanoic acid
CID 153342608
2-methylpropyl (2S)-2-amino-4-[[(2S)-2-fluoro-3-methoxypropyl]-methylamino]butanoate
CID 155277646
(2S)-2-amino-4-[3,3-difluoropropyl(methyl)amino]butanoic acid
CID 155277757
tert-butyl (2S)-2-amino-4-[[(2S)-2-fluoro-3-methoxypropyl]-methylamino]butanoate
CID 155277758
(2S)-2-amino-4-[[(2S)-2-fluoro-3-methoxypropyl]-methylamino]butanoic acid
CID 169567701
2-methylpropyl (2S)-2-amino-4-[5-aminopentyl-[(2S)-2-fluoro-3-methoxypropyl]amino]butanoate
CID 170124880
[(3R)-3-amino-4-oxo-4-(2,2,2-trifluoroacetyl)oxybutyl]-trimethylazanium
CID 174158008
Methyl 2-amino-4-(3,3-difluoropiperidin-1-yl)butanoate
CID 175000792
Methyl 4-[methyl(2,2,2-trifluoroethyl)amino]-2-(propylamino)butanoate
CID 55142772
Methyl 4-[cyclopropyl(2,2,2-trifluoroethyl)amino]-2-(ethylamino)butanoate
CID 55142775
Ethyl 2-(methylamino)-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate
CID 55144694
Methyl 2-amino-4-[propan-2-yl(2,2,2-trifluoroethyl)amino]butanoate
CID 55144890

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate?
The IUPAC name of ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate (CID 55142968) is ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate.
What is the SMILES notation for ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate?
The canonical SMILES for ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate is CCCN(CCC(N)C(=O)OCC)CC(F)(F)F.
What is the InChIKey of ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate?
The InChIKey is RECQBBDUZBBWNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O2/c1-3-6-16(8-11(12,13)14)7-5-9(15)10(17)18-4-2/h9H,3-8,15H2,1-2H3.
What are the key properties of ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate?
ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate has a molecular weight of 270.29 g/mol, XLogP of 1.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-4-[propyl(2,2,2-trifluoroethyl)amino]butanoate is sourced from PubChem (CID 55142968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).