methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate

C11H22N2O4 — CID 60720984

IUPACmethyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
SMILESCOCCCNC(=O)C(C)N(C)CC(=O)OC
InChIInChI=1S/C11H22N2O4/c1-9(13(2)8-10(14)17-4)11(15)12-6-5-7-16-3/h9H,5-8H2,1-4H3,(H,12,15)
InChIKeyWRJOKAMOOAYGOG-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.37
Rot. Bonds8

About methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate

methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate (PubChem CID 60720984) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
PubChem CID60720984
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
SMILESCOCCCNC(=O)C(C)N(C)CC(=O)OC
InChIInChI=1S/C11H22N2O4/c1-9(13(2)8-10(14)17-4)11(15)12-6-5-7-16-3/h9H,5-8H2,1-4H3,(H,12,15)
InChIKeyWRJOKAMOOAYGOG-UHFFFAOYSA-N
XLogP-0.37
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The IUPAC name of methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate (CID 60720984) is methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate is COCCCNC(=O)C(C)N(C)CC(=O)OC.
What is the InChIKey of methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate?
The InChIKey is WRJOKAMOOAYGOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(13(2)8-10(14)17-4)11(15)12-6-5-7-16-3/h9H,5-8H2,1-4H3,(H,12,15).
What are the key properties of methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate?
methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate has a molecular weight of 246.31 g/mol, XLogP of -0.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate is sourced from PubChem (CID 60720984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).