ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate

C11H20N2O2 — CID 79974219

IUPACethyl 2-[2-cyanoethyl(methyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)CCC#N
InChIInChI=1S/C11H20N2O2/c1-4-7-10(11(14)15-5-2)13(3)9-6-8-12/h10H,4-7,9H2,1-3H3
InChIKeyWVUSUNOBZOYEMY-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.56
Rot. Bonds7

About ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate

ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate (PubChem CID 79974219) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate.

Molecular Properties

Compound Nameethyl 2-[2-cyanoethyl(methyl)amino]pentanoate
PubChem CID79974219
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Nameethyl 2-[2-cyanoethyl(methyl)amino]pentanoate
SMILESCCCC(C(=O)OCC)N(C)CCC#N
InChIInChI=1S/C11H20N2O2/c1-4-7-10(11(14)15-5-2)13(3)9-6-8-12/h10H,4-7,9H2,1-3H3
InChIKeyWVUSUNOBZOYEMY-UHFFFAOYSA-N
XLogP1.56
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[1-cyanopropan-2-yl(methyl)amino]pentanoate
CID 83041447
ethyl 2-[2-cyanoethyl(propan-2-yl)amino]butanoate
CID 64660525
ethyl 2-[cyanomethyl(propyl)amino]pentanoate
CID 83040932
ethyl 2-[(3-methoxy-3-oxopropyl)-methylamino]pentanoate
CID 83043139
2-[2-cyanoethyl(methyl)amino]butanoic acid
CID 43808967
ethyl 2-[cyanomethyl(methyl)amino]butanoate
CID 64660730
ethyl 2-[methyl-[2-(methylamino)-2-oxoethyl]amino]pentanoate
CID 82836304
ethyl 2-[(3-amino-2,2-dimethylpropyl)-methylamino]pentanoate
CID 83049338
ethyl 2-[bis(2-hydroxyethyl)amino]pentanoate
CID 83040661
ethyl (2S)-2-amino-4-cyanobutanoate;hydrochloride
CID 131858881
ethyl 2-[3-hydroxybutyl(methyl)amino]butanoate
CID 115665703
N-(2-cyanoethyl)-N-methyl-2-(2-methylpentoxy)acetamide
CID 103283746

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate?
The IUPAC name of ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate (CID 79974219) is ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate.
What is the SMILES notation for ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate?
The canonical SMILES for ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate is CCCC(C(=O)OCC)N(C)CCC#N.
What is the InChIKey of ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate?
The InChIKey is WVUSUNOBZOYEMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-7-10(11(14)15-5-2)13(3)9-6-8-12/h10H,4-7,9H2,1-3H3.
What are the key properties of ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate?
ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate has a molecular weight of 212.29 g/mol, XLogP of 1.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-cyanoethyl(methyl)amino]pentanoate is sourced from PubChem (CID 79974219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).