methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate

C15H26N2O3 — CID 115536638

IUPACmethyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(C)(C)C#N)CC1CCCO1
InChIInChI=1S/C15H26N2O3/c1-15(2,12-16)7-9-17(8-6-14(18)19-3)11-13-5-4-10-20-13/h13H,4-11H2,1-3H3
InChIKeyAOZUAPLULGIQOS-UHFFFAOYSA-N
MW282.38 g/mol
LogP1.97
Rot. Bonds8

About methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate

methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate (PubChem CID 115536638) has the molecular formula C15H26N2O3 and a molecular weight of 282.38 g/mol. Its IUPAC name is methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate
PubChem CID115536638
Molecular FormulaC15H26N2O3
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Namemethyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate
SMILESCOC(=O)CCN(CCC(C)(C)C#N)CC1CCCO1
InChIInChI=1S/C15H26N2O3/c1-15(2,12-16)7-9-17(8-6-14(18)19-3)11-13-5-4-10-20-13/h13H,4-11H2,1-3H3
InChIKeyAOZUAPLULGIQOS-UHFFFAOYSA-N
XLogP1.97
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate 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

methyl 3-[3,3-dimethylbutyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964574
methyl 3-[3-methylbut-3-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 114448994
methyl 3-[3-(dimethylamino)propyl-(oxolan-2-ylmethyl)amino]propanoate
CID 113237140
methyl 3-[[1-(cyanomethyl)cyclopropyl]methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 115536657
methyl 3-[2-methylpropyl(oxolan-2-ylmethyl)amino]propanoate
CID 60606291
methyl 3-[2-methylidenebutyl(oxolan-2-ylmethyl)amino]propanoate
CID 113330840
methyl 3-[(4-cyanophenyl)methyl-(oxolan-2-ylmethyl)amino]propanoate
CID 56790959
methyl 3-[3-methylbut-2-enyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964303
methyl 3-[oxolan-2-ylmethyl(3-pyrrolidin-1-ylpropyl)amino]propanoate
CID 115536607
methyl 2-[bis(oxolan-2-ylmethyl)amino]acetate
CID 47039081
methyl 3-[3,3-dimethylbutanoyl(oxolan-2-ylmethyl)amino]propanoate
CID 78964270
methyl 4-[ethyl(oxolan-2-ylmethyl)amino]butanoate
CID 61434381

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate?
The IUPAC name of methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate (CID 115536638) is methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate.
What is the SMILES notation for methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate?
The canonical SMILES for methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate is COC(=O)CCN(CCC(C)(C)C#N)CC1CCCO1.
What is the InChIKey of methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate?
The InChIKey is AOZUAPLULGIQOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3/c1-15(2,12-16)7-9-17(8-6-14(18)19-3)11-13-5-4-10-20-13/h13H,4-11H2,1-3H3.
What are the key properties of methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate?
methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate has a molecular weight of 282.38 g/mol, XLogP of 1.97, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(3-cyano-3-methylbutyl)-(oxolan-2-ylmethyl)amino]propanoate is sourced from PubChem (CID 115536638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).