propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

C11H20N2O5 — CID 6421868

IUPACpropyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OC
InChIInChI=1S/C11H20N2O5/c1-5-6-18-10(15)8-12(2)9(14)7-13(3)11(16)17-4/h5-8H2,1-4H3
InChIKeyGIAGTLFDBILJCQ-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.10
Rot. Bonds6

About propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate

propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (PubChem CID 6421868) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.

Molecular Properties

Compound Namepropyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
PubChem CID6421868
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namepropyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate
SMILESCCCOC(=O)CN(C)C(=O)CN(C)C(=O)OC
InChIInChI=1S/C11H20N2O5/c1-5-6-18-10(15)8-12(2)9(14)7-13(3)11(16)17-4/h5-8H2,1-4H3
InChIKeyGIAGTLFDBILJCQ-UHFFFAOYSA-N
XLogP0.10
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The IUPAC name of propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate (CID 6421868) is propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate.
What is the SMILES notation for propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The canonical SMILES for propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is CCCOC(=O)CN(C)C(=O)CN(C)C(=O)OC.
What is the InChIKey of propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
The InChIKey is GIAGTLFDBILJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-5-6-18-10(15)8-12(2)9(14)7-13(3)11(16)17-4/h5-8H2,1-4H3.
What are the key properties of propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate?
propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate has a molecular weight of 260.29 g/mol, XLogP of 0.10, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 2-[[2-[methoxycarbonyl(methyl)amino]acetyl]-methylamino]acetate is sourced from PubChem (CID 6421868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).