methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate

C11H22N2O3 — CID 61449098

IUPACmethyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate
SMILESCCN(CCCC(=O)OC)CC(=O)N(C)C
InChIInChI=1S/C11H22N2O3/c1-5-13(9-10(14)12(2)3)8-6-7-11(15)16-4/h5-9H2,1-4H3
InChIKeyFWSDMNUDEQJCDR-UHFFFAOYSA-N
MW230.31 g/mol
LogP0.35
Rot. Bonds7

About methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate

methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate (PubChem CID 61449098) has the molecular formula C11H22N2O3 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate
PubChem CID61449098
Molecular FormulaC11H22N2O3
Molecular Weight230.31 g/mol
Exact Mass230.16
IUPAC Namemethyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate
SMILESCCN(CCCC(=O)OC)CC(=O)N(C)C
InChIInChI=1S/C11H22N2O3/c1-5-13(9-10(14)12(2)3)8-6-7-11(15)16-4/h5-9H2,1-4H3
InChIKeyFWSDMNUDEQJCDR-UHFFFAOYSA-N
XLogP0.35
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 50.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate?
The IUPAC name of methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate (CID 61449098) is methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate?
The canonical SMILES for methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate is CCN(CCCC(=O)OC)CC(=O)N(C)C.
What is the InChIKey of methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate?
The InChIKey is FWSDMNUDEQJCDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O3/c1-5-13(9-10(14)12(2)3)8-6-7-11(15)16-4/h5-9H2,1-4H3.
What are the key properties of methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate?
methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate has a molecular weight of 230.31 g/mol, XLogP of 0.35, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-(dimethylamino)-2-oxoethyl]-ethylamino]butanoate is sourced from PubChem (CID 61449098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).