methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate

C11H21NO3 — CID 65050716

IUPACmethyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate
SMILESCOC(=O)CCOC1(CN)CCCCC1
InChIInChI=1S/C11H21NO3/c1-14-10(13)5-8-15-11(9-12)6-3-2-4-7-11/h2-9,12H2,1H3
InChIKeyMQVOIMAOCLISHV-UHFFFAOYSA-N
MW215.29 g/mol
LogP1.23
Rot. Bonds5

About methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate

methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate (PubChem CID 65050716) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate.

Molecular Properties

Compound Namemethyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate
PubChem CID65050716
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Namemethyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate
SMILESCOC(=O)CCOC1(CN)CCCCC1
InChIInChI=1S/C11H21NO3/c1-14-10(13)5-8-15-11(9-12)6-3-2-4-7-11/h2-9,12H2,1H3
InChIKeyMQVOIMAOCLISHV-UHFFFAOYSA-N
XLogP1.23
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate?
The IUPAC name of methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate (CID 65050716) is methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate.
What is the SMILES notation for methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate?
The canonical SMILES for methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate is COC(=O)CCOC1(CN)CCCCC1.
What is the InChIKey of methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate?
The InChIKey is MQVOIMAOCLISHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-14-10(13)5-8-15-11(9-12)6-3-2-4-7-11/h2-9,12H2,1H3.
What are the key properties of methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate?
methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate has a molecular weight of 215.29 g/mol, XLogP of 1.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-(aminomethyl)cyclohexyl]oxypropanoate is sourced from PubChem (CID 65050716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).