methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate

C11H20N2O3 — CID 63285080

IUPACmethyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
SMILESCOCCN(CCC#N)CCCC(=O)OC
InChIInChI=1S/C11H20N2O3/c1-15-10-9-13(8-4-6-12)7-3-5-11(14)16-2/h3-5,7-10H2,1-2H3
InChIKeyKLSOKLYJDXACQP-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.80
Rot. Bonds9

About methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate

methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate (PubChem CID 63285080) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
PubChem CID63285080
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namemethyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
SMILESCOCCN(CCC#N)CCCC(=O)OC
InChIInChI=1S/C11H20N2O3/c1-15-10-9-13(8-4-6-12)7-3-5-11(14)16-2/h3-5,7-10H2,1-2H3
InChIKeyKLSOKLYJDXACQP-UHFFFAOYSA-N
XLogP0.80
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[2-cyanoethyl(2-methoxyethyl)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

3-[2-cyanoethyl(3-methoxypropyl)amino]propanenitrile
CID 22497852
methyl 3-[2-methoxyethyl(pent-4-ynyl)amino]propanoate
CID 112548452
3-[3-chloropropyl(2-methoxyethyl)amino]propanenitrile
CID 63285655
2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
3-[2-methoxyethyl(4,4,4-trifluorobutyl)amino]propanenitrile
CID 115513918
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365
propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate
CID 63285599
methyl 16-cyanohexadecanoate
CID 86171484
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
3-[3-(cyclopropylamino)propyl-(2-methoxyethyl)amino]propanenitrile
CID 63285977
methyl 4-[bis(2-cyanoethyl)sulfamoyl]butanoate
CID 61460452
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
CID 63286666

Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate?
The IUPAC name of methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate (CID 63285080) is methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate.
What is the SMILES notation for methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate?
The canonical SMILES for methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate is COCCN(CCC#N)CCCC(=O)OC.
What is the InChIKey of methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate?
The InChIKey is KLSOKLYJDXACQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-15-10-9-13(8-4-6-12)7-3-5-11(14)16-2/h3-5,7-10H2,1-2H3.
What are the key properties of methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate?
methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate has a molecular weight of 228.29 g/mol, XLogP of 0.80, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate is sourced from PubChem (CID 63285080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).