propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate

C11H20N2O3 — CID 63285599

IUPACpropan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate
SMILESCOCCN(CCC#N)CC(=O)OC(C)C
InChIInChI=1S/C11H20N2O3/c1-10(2)16-11(14)9-13(6-4-5-12)7-8-15-3/h10H,4,6-9H2,1-3H3
InChIKeyXBEARZOGFJHZHW-UHFFFAOYSA-N
MW228.29 g/mol
LogP0.80
Rot. Bonds8

About propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate

propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate (PubChem CID 63285599) has the molecular formula C11H20N2O3 and a molecular weight of 228.29 g/mol. Its IUPAC name is propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate
PubChem CID63285599
Molecular FormulaC11H20N2O3
Molecular Weight228.29 g/mol
Exact Mass228.15
IUPAC Namepropan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate
SMILESCOCCN(CCC#N)CC(=O)OC(C)C
InChIInChI=1S/C11H20N2O3/c1-10(2)16-11(14)9-13(6-4-5-12)7-8-15-3/h10H,4,6-9H2,1-3H3
InChIKeyXBEARZOGFJHZHW-UHFFFAOYSA-N
XLogP0.80
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
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 propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate 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

2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 55137484
2-[bis(2-methoxyethyl)amino]-N-(2-cyanoethyl)-N-methylacetamide
CID 60672925
N-(2-cyanoethyl)-2-[2-cyanoethyl(2-methoxyethyl)amino]acetamide
CID 63286365
3-[2-methoxyethyl(2-methylprop-2-enyl)amino]propanenitrile
CID 63286745
methyl 4-[2-cyanoethyl(2-methoxyethyl)amino]butanoate
CID 63285080
2-[2-cyanoethyl(2-methoxyethyl)amino]-N-prop-2-ynylacetamide
CID 63286666
3-[ethyl(2-methoxyethyl)amino]propanenitrile
CID 61448271
3-[2,3-dichloroprop-2-enyl(2-methoxyethyl)amino]propanenitrile
CID 79167562
3-[(3-bromo-2-methylpropyl)-(2-methoxyethyl)amino]propanenitrile
CID 64995233
3-[[2-(4-iodophenyl)-2-oxoethyl]-(2-methoxyethyl)amino]propanenitrile
CID 63285257
3-[2-methoxyethyl(2-oxoethyl)amino]propanenitrile
CID 63285436
2-bromo-N-(2-cyanoethyl)-N-(2-methoxyethyl)acetamide
CID 63681268

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate?
The IUPAC name of propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate (CID 63285599) is propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate.
What is the SMILES notation for propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate?
The canonical SMILES for propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate is COCCN(CCC#N)CC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate?
The InChIKey is XBEARZOGFJHZHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O3/c1-10(2)16-11(14)9-13(6-4-5-12)7-8-15-3/h10H,4,6-9H2,1-3H3.
What are the key properties of propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate?
propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate has a molecular weight of 228.29 g/mol, XLogP of 0.80, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-cyanoethyl(2-methoxyethyl)amino]acetate is sourced from PubChem (CID 63285599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).