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

C12H24N2O3 — CID 54990030

IUPACmethyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate
SMILESCCCN(CCCC(=O)OC)CC(=O)N(C)C
InChIInChI=1S/C12H24N2O3/c1-5-8-14(10-11(15)13(2)3)9-6-7-12(16)17-4/h5-10H2,1-4H3
InChIKeyOXEJWQUNBOIXFH-UHFFFAOYSA-N
MW244.33 g/mol
LogP0.74
Rot. Bonds8

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

methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate (PubChem CID 54990030) has the molecular formula C12H24N2O3 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate.

Molecular Properties

Compound Namemethyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate
PubChem CID54990030
Molecular FormulaC12H24N2O3
Molecular Weight244.33 g/mol
Exact Mass244.18
IUPAC Namemethyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate
SMILESCCCN(CCCC(=O)OC)CC(=O)N(C)C
InChIInChI=1S/C12H24N2O3/c1-5-8-14(10-11(15)13(2)3)9-6-7-12(16)17-4/h5-10H2,1-4H3
InChIKeyOXEJWQUNBOIXFH-UHFFFAOYSA-N
XLogP0.74
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]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]-propylamino]butanoate?
The IUPAC name of methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate (CID 54990030) is methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate.
What is the SMILES notation for methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate?
The canonical SMILES for methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate is CCCN(CCCC(=O)OC)CC(=O)N(C)C.
What is the InChIKey of methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate?
The InChIKey is OXEJWQUNBOIXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O3/c1-5-8-14(10-11(15)13(2)3)9-6-7-12(16)17-4/h5-10H2,1-4H3.
What are the key properties of methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate?
methyl 4-[[2-(dimethylamino)-2-oxoethyl]-propylamino]butanoate has a molecular weight of 244.33 g/mol, XLogP of 0.74, 8 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]-propylamino]butanoate is sourced from PubChem (CID 54990030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).