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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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).