methyl 2-(5,5-dimethylmorpholin-2-yl)acetate

C9H17NO3 — CID 42614557

IUPACmethyl 2-(5,5-dimethylmorpholin-2-yl)acetate
SMILESCOC(=O)CC1CNC(C)(C)CO1
InChIInChI=1S/C9H17NO3/c1-9(2)6-13-7(5-10-9)4-8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyDYUSOCVVNYMALB-UHFFFAOYSA-N
MW187.24 g/mol
LogP0.32
Rot. Bonds2

About methyl 2-(5,5-dimethylmorpholin-2-yl)acetate

methyl 2-(5,5-dimethylmorpholin-2-yl)acetate (PubChem CID 42614557) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is methyl 2-(5,5-dimethylmorpholin-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(5,5-dimethylmorpholin-2-yl)acetate
PubChem CID42614557
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Namemethyl 2-(5,5-dimethylmorpholin-2-yl)acetate
SMILESCOC(=O)CC1CNC(C)(C)CO1
InChIInChI=1S/C9H17NO3/c1-9(2)6-13-7(5-10-9)4-8(11)12-3/h7,10H,4-6H2,1-3H3
InChIKeyDYUSOCVVNYMALB-UHFFFAOYSA-N
XLogP0.32
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 50.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5,5-dimethylmorpholin-2-yl)acetate?
The IUPAC name of methyl 2-(5,5-dimethylmorpholin-2-yl)acetate (CID 42614557) is methyl 2-(5,5-dimethylmorpholin-2-yl)acetate.
What is the SMILES notation for methyl 2-(5,5-dimethylmorpholin-2-yl)acetate?
The canonical SMILES for methyl 2-(5,5-dimethylmorpholin-2-yl)acetate is COC(=O)CC1CNC(C)(C)CO1.
What is the InChIKey of methyl 2-(5,5-dimethylmorpholin-2-yl)acetate?
The InChIKey is DYUSOCVVNYMALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2)6-13-7(5-10-9)4-8(11)12-3/h7,10H,4-6H2,1-3H3.
What are the key properties of methyl 2-(5,5-dimethylmorpholin-2-yl)acetate?
methyl 2-(5,5-dimethylmorpholin-2-yl)acetate has a molecular weight of 187.24 g/mol, XLogP of 0.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5,5-dimethylmorpholin-2-yl)acetate is sourced from PubChem (CID 42614557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).