methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate

C11H20N2O5 — CID 91709742

IUPACmethyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
SMILESCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OC
InChIInChI=1S/C11H20N2O5/c1-7(13(4)11(16)18-6)9(14)12(3)8(2)10(15)17-5/h7-8H,1-6H3
InChIKeyNUCMXQOEUFZYDD-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.09
Rot. Bonds4

About methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate

methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate (PubChem CID 91709742) has the molecular formula C11H20N2O5 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate.

Molecular Properties

Compound Namemethyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
PubChem CID91709742
Molecular FormulaC11H20N2O5
Molecular Weight260.29 g/mol
Exact Mass260.14
IUPAC Namemethyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate
SMILESCOC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OC
InChIInChI=1S/C11H20N2O5/c1-7(13(4)11(16)18-6)9(14)12(3)8(2)10(15)17-5/h7-8H,1-6H3
InChIKeyNUCMXQOEUFZYDD-UHFFFAOYSA-N
XLogP0.09
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The IUPAC name of methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate (CID 91709742) is methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate.
What is the SMILES notation for methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The canonical SMILES for methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate is COC(=O)C(C)N(C)C(=O)C(C)N(C)C(=O)OC.
What is the InChIKey of methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
The InChIKey is NUCMXQOEUFZYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O5/c1-7(13(4)11(16)18-6)9(14)12(3)8(2)10(15)17-5/h7-8H,1-6H3.
What are the key properties of methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate?
methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate has a molecular weight of 260.29 g/mol, XLogP of 0.09, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-[methoxycarbonyl(methyl)amino]propanoyl-methylamino]propanoate is sourced from PubChem (CID 91709742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).