methyl 2-(3-aminocyclohexyl)oxypropanoate

C10H19NO3 — CID 106940611

IUPACmethyl 2-(3-aminocyclohexyl)oxypropanoate
SMILESCOC(=O)C(C)OC1CCCC(N)C1
InChIInChI=1S/C10H19NO3/c1-7(10(12)13-2)14-9-5-3-4-8(11)6-9/h7-9H,3-6,11H2,1-2H3
InChIKeyKWLRJBUDYWEXEU-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.83
Rot. Bonds3

About methyl 2-(3-aminocyclohexyl)oxypropanoate

methyl 2-(3-aminocyclohexyl)oxypropanoate (PubChem CID 106940611) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 2-(3-aminocyclohexyl)oxypropanoate.

Molecular Properties

Compound Namemethyl 2-(3-aminocyclohexyl)oxypropanoate
PubChem CID106940611
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 2-(3-aminocyclohexyl)oxypropanoate
SMILESCOC(=O)C(C)OC1CCCC(N)C1
InChIInChI=1S/C10H19NO3/c1-7(10(12)13-2)14-9-5-3-4-8(11)6-9/h7-9H,3-6,11H2,1-2H3
InChIKeyKWLRJBUDYWEXEU-UHFFFAOYSA-N
XLogP0.83
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminocyclohexyl)oxypropanoate?
The IUPAC name of methyl 2-(3-aminocyclohexyl)oxypropanoate (CID 106940611) is methyl 2-(3-aminocyclohexyl)oxypropanoate.
What is the SMILES notation for methyl 2-(3-aminocyclohexyl)oxypropanoate?
The canonical SMILES for methyl 2-(3-aminocyclohexyl)oxypropanoate is COC(=O)C(C)OC1CCCC(N)C1.
What is the InChIKey of methyl 2-(3-aminocyclohexyl)oxypropanoate?
The InChIKey is KWLRJBUDYWEXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-7(10(12)13-2)14-9-5-3-4-8(11)6-9/h7-9H,3-6,11H2,1-2H3.
What are the key properties of methyl 2-(3-aminocyclohexyl)oxypropanoate?
methyl 2-(3-aminocyclohexyl)oxypropanoate has a molecular weight of 201.27 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminocyclohexyl)oxypropanoate is sourced from PubChem (CID 106940611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).