methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride

C9H18ClNO3 — CID 44723279

IUPACmethyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride
SMILESCOC(=O)C(C)C[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C9H17NO3.ClH/c1-8(9(11)12-2)7-10-3-5-13-6-4-10;/h8H,3-7H2,1-2H3;1H
InChIKeyQHUYHTGASRLKKU-UHFFFAOYSA-N
MW223.70 g/mol
LogP-4.29
Rot. Bonds3

About methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride

methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride (PubChem CID 44723279) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride.

Molecular Properties

Compound Namemethyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride
PubChem CID44723279
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Namemethyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride
SMILESCOC(=O)C(C)C[NH+]1CCOCC1.[Cl-]
InChIInChI=1S/C9H17NO3.ClH/c1-8(9(11)12-2)7-10-3-5-13-6-4-10;/h8H,3-7H2,1-2H3;1H
InChIKeyQHUYHTGASRLKKU-UHFFFAOYSA-N
XLogP-4.29
TPSA39.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 5-4.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride?
The IUPAC name of methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride (CID 44723279) is methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride.
What is the SMILES notation for methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride?
The canonical SMILES for methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride is COC(=O)C(C)C[NH+]1CCOCC1.[Cl-].
What is the InChIKey of methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride?
The InChIKey is QHUYHTGASRLKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3.ClH/c1-8(9(11)12-2)7-10-3-5-13-6-4-10;/h8H,3-7H2,1-2H3;1H.
What are the key properties of methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride?
methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride has a molecular weight of 223.70 g/mol, XLogP of -4.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-morpholin-4-ium-4-ylpropanoate chloride is sourced from PubChem (CID 44723279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).