ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate

C11H22N2O4 — CID 60683876

IUPACethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)CN(C)CCO
InChIInChI=1S/C11H22N2O4/c1-3-17-11(16)5-4-6-12-10(15)9-13(2)7-8-14/h14H,3-9H2,1-2H3,(H,12,15)
InChIKeyRUCDAOBHSWGZAA-UHFFFAOYSA-N
MW246.31 g/mol
LogP-0.63
Rot. Bonds9

About ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate

ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate (PubChem CID 60683876) has the molecular formula C11H22N2O4 and a molecular weight of 246.31 g/mol. Its IUPAC name is ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate
PubChem CID60683876
Molecular FormulaC11H22N2O4
Molecular Weight246.31 g/mol
Exact Mass246.16
IUPAC Nameethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate
SMILESCCOC(=O)CCCNC(=O)CN(C)CCO
InChIInChI=1S/C11H22N2O4/c1-3-17-11(16)5-4-6-12-10(15)9-13(2)7-8-14/h14H,3-9H2,1-2H3,(H,12,15)
InChIKeyRUCDAOBHSWGZAA-UHFFFAOYSA-N
XLogP-0.63
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 5-0.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate with MolForge

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

Launch Full Analysis

Related Compounds

ethyl 4-[[2-[(3-ethoxy-3-oxopropyl)-methylamino]acetyl]amino]butanoate
CID 62012622
ethyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62013172
ethyl 4-[[2-[2-hydroxyethyl(pentan-3-yl)amino]acetyl]amino]butanoate
CID 62015098
ethyl 4-[[2-[cyclobutyl(2-hydroxyethyl)amino]acetyl]amino]butanoate
CID 102676800
ethyl 4-[[2-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]acetyl]amino]butanoate
CID 103864941
ethyl 4-[[2-[(1-hydroxy-2-methylpropan-2-yl)-methylamino]acetyl]amino]butanoate
CID 115638060
ethyl 2-[[2-(2-aminoethylamino)-2-oxoethyl]-methylamino]acetate
CID 63381111
ethyl 4-(pentanoylamino)butanoate
CID 60654722
ethyl 4-[[2-[(2-chlorophenyl)methyl-methylamino]acetyl]amino]butanoate
CID 86908494
ethyl 4-[[2-[(5-chlorothiophen-2-yl)methyl-methylamino]acetyl]amino]butanoate
CID 86908410
methyl 3-[[2-(butylamino)-2-oxoethyl]-methylamino]propanoate
CID 62010683
ethyl 4-[3-(diethylamino)propylamino]-4-oxobutanoate
CID 60638277

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate?
The IUPAC name of ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate (CID 60683876) is ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate.
What is the SMILES notation for ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate?
The canonical SMILES for ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate is CCOC(=O)CCCNC(=O)CN(C)CCO.
What is the InChIKey of ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate?
The InChIKey is RUCDAOBHSWGZAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O4/c1-3-17-11(16)5-4-6-12-10(15)9-13(2)7-8-14/h14H,3-9H2,1-2H3,(H,12,15).
What are the key properties of ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate?
ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate has a molecular weight of 246.31 g/mol, XLogP of -0.63, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[[2-[2-hydroxyethyl(methyl)amino]acetyl]amino]butanoate is sourced from PubChem (CID 60683876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).