methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate

C10H20N2O4 — CID 60660409

IUPACmethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
SMILESCOCCCNC(=O)CN(C)CC(=O)OC
InChIInChI=1S/C10H20N2O4/c1-12(8-10(14)16-3)7-9(13)11-5-4-6-15-2/h4-8H2,1-3H3,(H,11,13)
InChIKeyAUBNXGZWMOYBBG-UHFFFAOYSA-N
MW232.28 g/mol
LogP-0.76
Rot. Bonds8

About methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate

methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate (PubChem CID 60660409) has the molecular formula C10H20N2O4 and a molecular weight of 232.28 g/mol. Its IUPAC name is methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate.

Molecular Properties

Compound Namemethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
PubChem CID60660409
Molecular FormulaC10H20N2O4
Molecular Weight232.28 g/mol
Exact Mass232.14
IUPAC Namemethyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate
SMILESCOCCCNC(=O)CN(C)CC(=O)OC
InChIInChI=1S/C10H20N2O4/c1-12(8-10(14)16-3)7-9(13)11-5-4-6-15-2/h4-8H2,1-3H3,(H,11,13)
InChIKeyAUBNXGZWMOYBBG-UHFFFAOYSA-N
XLogP-0.76
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 5-0.76
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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Related Compounds

2-[[2-(1-methoxypropan-2-ylamino)-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445610
2-[cyanomethyl(methyl)amino]-N-(3-methoxypropyl)acetamide
CID 60715078
N-(4-methoxybutyl)-2-[methyl(propyl)amino]acetamide
CID 154671140
methyl 2-[[1-(3-methoxypropylamino)-1-oxopropan-2-yl]-methylamino]acetate
CID 60720984
2-[[2-[bis(2-cyanoethyl)amino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 55445473
2-[[2-[(1-cyanocyclohexyl)-methylamino]-2-oxoethyl]-methylamino]-N-(3-methoxypropyl)acetamide
CID 51261193
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2-dimethylpropanamide
CID 60707643
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methyl-2-(methylamino)acetamide
CID 60954160
2-[(4-bromophenyl)methyl-methylamino]-N-(3-methoxypropyl)acetamide
CID 47006314
methyl 2-[methyl-[2-oxo-2-(prop-2-ynylamino)ethyl]amino]acetate
CID 60673152
2-[butyl(methyl)amino]-N-(2-methoxyethyl)acetamide
CID 108994026
methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62010683

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate?
The IUPAC name of methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate (CID 60660409) is methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate.
What is the SMILES notation for methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate?
The canonical SMILES for methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate is COCCCNC(=O)CN(C)CC(=O)OC.
What is the InChIKey of methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate?
The InChIKey is AUBNXGZWMOYBBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O4/c1-12(8-10(14)16-3)7-9(13)11-5-4-6-15-2/h4-8H2,1-3H3,(H,11,13).
What are the key properties of methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate?
methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate has a molecular weight of 232.28 g/mol, XLogP of -0.76, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(3-methoxypropylamino)-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 60660409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).