methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride

C9H18ClNO3 — CID 21155910

IUPACmethyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride
SMILESCOC(=O)C(C)CN1CCOCC1.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
LogP0.55
Rot. Bonds3

About methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride

methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride (PubChem CID 21155910) has the molecular formula C9H18ClNO3 and a molecular weight of 223.70 g/mol. Its IUPAC name is methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride
PubChem CID21155910
Molecular FormulaC9H18ClNO3
Molecular Weight223.70 g/mol
Exact Mass223.10
IUPAC Namemethyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride
SMILESCOC(=O)C(C)CN1CCOCC1.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
XLogP0.55
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.70
LogP ≤ 50.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride?
The IUPAC name of methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride (CID 21155910) is methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride is COC(=O)C(C)CN1CCOCC1.Cl.
What is the InChIKey of methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride?
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-ylpropanoate;hydrochloride?
methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride has a molecular weight of 223.70 g/mol, XLogP of 0.55, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-morpholin-4-ylpropanoate;hydrochloride is sourced from PubChem (CID 21155910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).