methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate

C11H22N2O4 — CID 115281495

IUPACmethyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(=O)N(C)C
InChIInChI=1S/C11H22N2O4/c1-12(2)10(14)9-13(7-8-16-3)6-5-11(15)17-4/h5-9H2,1-4H3
InChIKeyHRLBCKDNRJJITC-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.41
Rot. Bonds8

About methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate

methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate (PubChem CID 115281495) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
PubChem CID115281495
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Namemethyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate
SMILESCOCCN(CCC(=O)OC)CC(=O)N(C)C
InChIInChI=1S/C11H22N2O4/c1-12(2)10(14)9-13(7-8-16-3)6-5-11(15)17-4/h5-9H2,1-4H3
InChIKeyHRLBCKDNRJJITC-UHFFFAOYSA-N
XLogP-0.41
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate with MolForge

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Related Compounds

2-[(3-amino-3-sulfanylidenepropyl)-(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 63285324
2-[ethyl(2-methoxyethyl)amino]-N,N-dimethylacetamide
CID 135183389
methyl 3-[2-fluoroethyl(2-methoxyethyl)amino]propanoate
CID 80601723
methyl 3-[2,2-dimethoxyethyl(2-methoxyethyl)amino]propanoate
CID 115536455
methyl 3-[(2-hydroxy-2-methylpropyl)-(2-methoxyethyl)amino]propanoate
CID 115536395
methyl 3-[2-ethylbutyl(2-methoxyethyl)amino]propanoate
CID 82930234
methyl 3-[2-[2-[bis(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]ethyl-(3-methoxy-3-oxopropyl)amino]propanoate
CID 59280841
2-[bis(2-methoxyethyl)amino]-N-methyl-N-propan-2-ylacetamide
CID 86908702
methyl 3-[2-methoxyethyl-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]amino]propanoate
CID 78958946
methyl 3-[2-methoxyethyl-[2-(4-methylphenoxy)ethyl]amino]propanoate
CID 78958910
methyl 3-[2-methoxyethyl(pent-4-ynyl)amino]propanoate
CID 112548452
methyl 3-[2-methoxyethyl-[2-(3-methylbutoxy)ethyl]amino]propanoate
CID 78960557

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate?
The IUPAC name of methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate (CID 115281495) is methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate?
The canonical SMILES for methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate is COCCN(CCC(=O)OC)CC(=O)N(C)C.
What is the InChIKey of methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate?
The InChIKey is HRLBCKDNRJJITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-12(2)10(14)9-13(7-8-16-3)6-5-11(15)17-4/h5-9H2,1-4H3.
What are the key properties of methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate?
methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate has a molecular weight of 246.31 g/mol, XLogP of -0.41, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[2-(dimethylamino)-2-oxoethyl]-(2-methoxyethyl)amino]propanoate is sourced from PubChem (CID 115281495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).