methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride

C8H16ClNO3 — CID 71742835

IUPACmethyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1NCCOC1(C)C.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-8(2)6(7(10)11-3)9-4-5-12-8;/h6,9H,4-5H2,1-3H3;1H
InChIKeyTYAIRGQKBJVSNM-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.35
Rot. Bonds1

About methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride

methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride (PubChem CID 71742835) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride
PubChem CID71742835
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Namemethyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride
SMILESCOC(=O)C1NCCOC1(C)C.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-8(2)6(7(10)11-3)9-4-5-12-8;/h6,9H,4-5H2,1-3H3;1H
InChIKeyTYAIRGQKBJVSNM-UHFFFAOYSA-N
XLogP0.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.67
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride 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 2,2-dimethylmorpholine-3-carboxylate;hydrochloride?
The IUPAC name of methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride (CID 71742835) is methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride?
The canonical SMILES for methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride is COC(=O)C1NCCOC1(C)C.Cl.
What is the InChIKey of methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride?
The InChIKey is TYAIRGQKBJVSNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-8(2)6(7(10)11-3)9-4-5-12-8;/h6,9H,4-5H2,1-3H3;1H.
What are the key properties of methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride?
methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethylmorpholine-3-carboxylate;hydrochloride is sourced from PubChem (CID 71742835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).