methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate

C14H23F3N2O6 — CID 6429550

IUPACmethyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate
SMILESCOCC(C(=O)OC)N(C)C(=O)C(C(C)OC)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C14H23F3N2O6/c1-8(24-5)10(19(3)13(22)14(15,16)17)11(20)18(2)9(7-23-4)12(21)25-6/h8-10H,7H2,1-6H3
InChIKeyNHBCWZCXGIHONC-UHFFFAOYSA-N
MW372.34 g/mol
LogP0.06
Rot. Bonds8

About methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate

methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate (PubChem CID 6429550) has the molecular formula C14H23F3N2O6 and a molecular weight of 372.34 g/mol. Its IUPAC name is methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate
PubChem CID6429550
Molecular FormulaC14H23F3N2O6
Molecular Weight372.34 g/mol
Exact Mass372.15
IUPAC Namemethyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate
SMILESCOCC(C(=O)OC)N(C)C(=O)C(C(C)OC)N(C)C(=O)C(F)(F)F
InChIInChI=1S/C14H23F3N2O6/c1-8(24-5)10(19(3)13(22)14(15,16)17)11(20)18(2)9(7-23-4)12(21)25-6/h8-10H,7H2,1-6H3
InChIKeyNHBCWZCXGIHONC-UHFFFAOYSA-N
XLogP0.06
TPSA85.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 50.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Asparagine-threonine, N(alpha,epsilon)-trifluoroacetyl-N-O-permethyl derivative
CID 6429543
Methyl 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
CID 54945930
Ethyl 2-[propan-2-yl-[3-(2,2,2-trifluoroethoxy)propanoyl]amino]acetate
CID 61021192
Methyl 2-[3-(2,2-difluoroethoxy)propanoyl-propan-2-ylamino]acetate
CID 103209819
Ethyl 2-[3-(2,2-difluoroethoxy)propanoyl-propan-2-ylamino]acetate
CID 113788502

Frequently Asked Questions

What is the IUPAC name of methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate?
The IUPAC name of methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate (CID 6429550) is methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate.
What is the SMILES notation for methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate?
The canonical SMILES for methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate is COCC(C(=O)OC)N(C)C(=O)C(C(C)OC)N(C)C(=O)C(F)(F)F.
What is the InChIKey of methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate?
The InChIKey is NHBCWZCXGIHONC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O6/c1-8(24-5)10(19(3)13(22)14(15,16)17)11(20)18(2)9(7-23-4)12(21)25-6/h8-10H,7H2,1-6H3.
What are the key properties of methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate?
methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate has a molecular weight of 372.34 g/mol, XLogP of 0.06, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methoxy-2-[[3-methoxy-2-[methyl-(2,2,2-trifluoroacetyl)amino]butanoyl]-methylamino]propanoate is sourced from PubChem (CID 6429550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).