methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate

C11H24N2O3 — CID 63690523

IUPACmethyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate
SMILESCCOCCN(CC)CC(NC)C(=O)OC
InChIInChI=1S/C11H24N2O3/c1-5-13(7-8-16-6-2)9-10(12-3)11(14)15-4/h10,12H,5-9H2,1-4H3
InChIKeyWOGAGRBUZYHYHM-UHFFFAOYSA-N
MW232.32 g/mol
LogP0.11
Rot. Bonds9

About methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate

methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate (PubChem CID 63690523) has the molecular formula C11H24N2O3 and a molecular weight of 232.32 g/mol. Its IUPAC name is methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate.

Molecular Properties

Compound Namemethyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate
PubChem CID63690523
Molecular FormulaC11H24N2O3
Molecular Weight232.32 g/mol
Exact Mass232.18
IUPAC Namemethyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate
SMILESCCOCCN(CC)CC(NC)C(=O)OC
InChIInChI=1S/C11H24N2O3/c1-5-13(7-8-16-6-2)9-10(12-3)11(14)15-4/h10,12H,5-9H2,1-4H3
InChIKeyWOGAGRBUZYHYHM-UHFFFAOYSA-N
XLogP0.11
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 50.11
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

3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanamide
CID 63690176
methyl 4-[ethyl(2-methoxyethyl)amino]-2-(methylamino)butanoate
CID 63055174
methyl 4-[ethyl(2-methylpropyl)amino]-2-(methylamino)butanoate
CID 63029585
3-[2-ethoxyethyl(ethyl)amino]-2-(propylamino)propanoic acid
CID 55228271
2-(cyclopropylamino)-3-[2-ethoxyethyl(ethyl)amino]propanamide
CID 63691582
methyl 2-acetamido-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 65475175
3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanenitrile
CID 63690873
methyl 3-[3-(dimethylamino)propyl-ethylamino]-2-(ethylamino)propanoate
CID 102996557
methyl 4-[butyl(ethyl)amino]-2-(methylamino)butanoate
CID 63028145
1-N-(2-ethoxyethyl)-1-N,2-N-diethylpropane-1,2-diamine
CID 63697376
methyl 2-bromo-3-[ethyl(2-methoxyethyl)amino]propanoate
CID 81099300
1-[2-ethoxyethyl(ethyl)amino]-3,3-dimethylbutan-2-ol
CID 63691569

Frequently Asked Questions

What is the IUPAC name of methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate?
The IUPAC name of methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate (CID 63690523) is methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate.
What is the SMILES notation for methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate?
The canonical SMILES for methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate is CCOCCN(CC)CC(NC)C(=O)OC.
What is the InChIKey of methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate?
The InChIKey is WOGAGRBUZYHYHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O3/c1-5-13(7-8-16-6-2)9-10(12-3)11(14)15-4/h10,12H,5-9H2,1-4H3.
What are the key properties of methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate?
methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate has a molecular weight of 232.32 g/mol, XLogP of 0.11, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[2-ethoxyethyl(ethyl)amino]-2-(methylamino)propanoate is sourced from PubChem (CID 63690523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).