methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate

C11H22N2O4 — CID 79282082

IUPACmethyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate
SMILESCOCCNCC(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-9(11(15)17-4)8-13(2)10(14)7-12-5-6-16-3/h9,12H,5-8H2,1-4H3
InChIKeySTUWVBPKNGGZFE-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.51
Rot. Bonds8

About methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate

methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate (PubChem CID 79282082) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate
PubChem CID79282082
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate
SMILESCOCCNCC(=O)N(C)CC(C)C(=O)OC
InChIInChI=1S/C11H22N2O4/c1-9(11(15)17-4)8-13(2)10(14)7-12-5-6-16-3/h9,12H,5-8H2,1-4H3
InChIKeySTUWVBPKNGGZFE-UHFFFAOYSA-N
XLogP-0.51
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 ≤ 5-0.51
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

N-(2-amino-2-oxoethyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79281885
N-(3-hydroxybutyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 115740129
methyl 3-[[2-(butan-2-ylamino)acetyl]-methylamino]-2-methylpropanoate
CID 54873462
3-[[2-(2-methoxyethylamino)acetyl]-methylamino]propanoic acid
CID 79282817
methyl 2-methyl-3-[methyl-[4-(methylamino)butanoyl]amino]propanoate
CID 60964013
methyl 3-[2-methoxyethylsulfamoyl(methyl)amino]-2-methylpropanoate
CID 114816329
N-ethyl-2-(2-methoxyethylamino)-N-(2-methylpropyl)acetamide;hydrochloride
CID 119732327
N-butan-2-yl-N-ethyl-2-(2-methoxyethylamino)acetamide
CID 79281144
2-[[2-(2-methoxyethylamino)acetyl]-(2-methylpropyl)amino]acetic acid
CID 79281112
N-(cyclobutylmethyl)-2-(2-methoxyethylamino)-N-methylacetamide
CID 79282440
methyl 3-[bis(2-methoxyethyl)amino]-2-methylpropanoate
CID 60649296
2-(2-methoxyethylamino)-N-propan-2-yl-N-propylacetamide
CID 79280705

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate?
The IUPAC name of methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate (CID 79282082) is methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate.
What is the SMILES notation for methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate?
The canonical SMILES for methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate is COCCNCC(=O)N(C)CC(C)C(=O)OC.
What is the InChIKey of methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate?
The InChIKey is STUWVBPKNGGZFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-9(11(15)17-4)8-13(2)10(14)7-12-5-6-16-3/h9,12H,5-8H2,1-4H3.
What are the key properties of methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate?
methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate has a molecular weight of 246.31 g/mol, XLogP of -0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(2-methoxyethylamino)acetyl]-methylamino]-2-methylpropanoate is sourced from PubChem (CID 79282082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).