methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate

C10H17F3N2O3 — CID 54872075

IUPACmethyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCC(N)C(=O)N(CCC(=O)OC)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-7(14)9(17)15(6-10(11,12)13)5-4-8(16)18-2/h7H,3-6,14H2,1-2H3
InChIKeyGBLFQHTVKNZUJN-UHFFFAOYSA-N
MW270.25 g/mol
LogP0.68
Rot. Bonds6

About methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate

methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate (PubChem CID 54872075) has the molecular formula C10H17F3N2O3 and a molecular weight of 270.25 g/mol. Its IUPAC name is methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate
PubChem CID54872075
Molecular FormulaC10H17F3N2O3
Molecular Weight270.25 g/mol
Exact Mass270.12
IUPAC Namemethyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate
SMILESCCC(N)C(=O)N(CCC(=O)OC)CC(F)(F)F
InChIInChI=1S/C10H17F3N2O3/c1-3-7(14)9(17)15(6-10(11,12)13)5-4-8(16)18-2/h7H,3-6,14H2,1-2H3
InChIKeyGBLFQHTVKNZUJN-UHFFFAOYSA-N
XLogP0.68
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate?
The IUPAC name of methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate (CID 54872075) is methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate?
The canonical SMILES for methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate is CCC(N)C(=O)N(CCC(=O)OC)CC(F)(F)F.
What is the InChIKey of methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate?
The InChIKey is GBLFQHTVKNZUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O3/c1-3-7(14)9(17)15(6-10(11,12)13)5-4-8(16)18-2/h7H,3-6,14H2,1-2H3.
What are the key properties of methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate?
methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate has a molecular weight of 270.25 g/mol, XLogP of 0.68, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-aminobutanoyl(2,2,2-trifluoroethyl)amino]propanoate is sourced from PubChem (CID 54872075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).