methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate

C13H24N2O3 — CID 79636666

IUPACmethyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(N2CCOC(C)C2)C1
InChIInChI=1S/C13H24N2O3/c1-10-9-15(6-7-18-10)11-4-3-5-13(14,8-11)12(16)17-2/h10-11H,3-9,14H2,1-2H3
InChIKeyOCPNTGHLMOFERG-UHFFFAOYSA-N
MW256.35 g/mol
LogP0.52
Rot. Bonds2

About methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate

methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate (PubChem CID 79636666) has the molecular formula C13H24N2O3 and a molecular weight of 256.35 g/mol. Its IUPAC name is methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate
PubChem CID79636666
Molecular FormulaC13H24N2O3
Molecular Weight256.35 g/mol
Exact Mass256.18
IUPAC Namemethyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(N)CCCC(N2CCOC(C)C2)C1
InChIInChI=1S/C13H24N2O3/c1-10-9-15(6-7-18-10)11-4-3-5-13(14,8-11)12(16)17-2/h10-11H,3-9,14H2,1-2H3
InChIKeyOCPNTGHLMOFERG-UHFFFAOYSA-N
XLogP0.52
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate (CID 79636666) is methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate is COC(=O)C1(N)CCCC(N2CCOC(C)C2)C1.
What is the InChIKey of methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate?
The InChIKey is OCPNTGHLMOFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O3/c1-10-9-15(6-7-18-10)11-4-3-5-13(14,8-11)12(16)17-2/h10-11H,3-9,14H2,1-2H3.
What are the key properties of methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate?
methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate has a molecular weight of 256.35 g/mol, XLogP of 0.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-amino-3-(2-methylmorpholin-4-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 79636666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).