methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate

C11H18N2O3 — CID 79823047

IUPACmethyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCCC#N)CCO1
InChIInChI=1S/C11H18N2O3/c1-15-11(14)8-10-9-13(6-7-16-10)5-3-2-4-12/h10H,2-3,5-9H2,1H3
InChIKeyGJHSBAZGSRJXHU-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.55
Rot. Bonds5

About methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate

methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate (PubChem CID 79823047) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
PubChem CID79823047
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Namemethyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate
SMILESCOC(=O)CC1CN(CCCC#N)CCO1
InChIInChI=1S/C11H18N2O3/c1-15-11(14)8-10-9-13(6-7-16-10)5-3-2-4-12/h10H,2-3,5-9H2,1H3
InChIKeyGJHSBAZGSRJXHU-UHFFFAOYSA-N
XLogP0.55
TPSA62.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]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

methyl 2-(4-pent-4-ynylmorpholin-2-yl)acetate
CID 112548455
methyl 2-[4-(5-hydroxypentyl)morpholin-2-yl]acetate
CID 79823228
methyl 2-[4-(4-aminobutyl)morpholin-2-yl]acetate
CID 115533916
methyl 2-[4-[2-(3-methylbutoxy)ethyl]morpholin-2-yl]acetate
CID 79823416
methyl 2-[4-(2-morpholin-4-ylethyl)morpholin-2-yl]acetate
CID 79822697
methyl 2-[4-(4,4,4-trifluorobutyl)morpholin-2-yl]acetate
CID 113331103
methyl 2-[4-(3-methylsulfonylpropyl)morpholin-2-yl]acetate
CID 79822188
ethyl 6-[2-(2-methoxy-2-oxoethyl)morpholin-4-yl]hexanoate
CID 79827518
2-[4-(2-cyanoethyl)morpholin-2-yl]acetic acid
CID 66435629
methyl 4-[2-(aminomethyl)morpholin-4-yl]butanoate
CID 114398668
methyl 2-[4-(3-hydroxy-2-methylpropyl)morpholin-2-yl]acetate
CID 115873221
methyl 2-[4-[2-oxo-2-(pentan-3-ylamino)ethyl]morpholin-2-yl]acetate
CID 79822955

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate?
The IUPAC name of methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate (CID 79823047) is methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate is COC(=O)CC1CN(CCCC#N)CCO1.
What is the InChIKey of methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate?
The InChIKey is GJHSBAZGSRJXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-15-11(14)8-10-9-13(6-7-16-10)5-3-2-4-12/h10H,2-3,5-9H2,1H3.
What are the key properties of methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate?
methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate has a molecular weight of 226.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-cyanopropyl)morpholin-2-yl]acetate is sourced from PubChem (CID 79823047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).