methyl 3-morpholin-2-ylpropanoate;hydrochloride

C8H16ClNO3 — CID 146472311

IUPACmethyl 3-morpholin-2-ylpropanoate;hydrochloride
SMILESCOC(=O)CCC1CNCCO1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-11-8(10)3-2-7-6-9-4-5-12-7;/h7,9H,2-6H2,1H3;1H
InChIKeyJMLMNAZUGZHSFJ-UHFFFAOYSA-N
MW209.67 g/mol
LogP0.35
Rot. Bonds3

About methyl 3-morpholin-2-ylpropanoate;hydrochloride

methyl 3-morpholin-2-ylpropanoate;hydrochloride (PubChem CID 146472311) has the molecular formula C8H16ClNO3 and a molecular weight of 209.67 g/mol. Its IUPAC name is methyl 3-morpholin-2-ylpropanoate;hydrochloride.

Molecular Properties

Compound Namemethyl 3-morpholin-2-ylpropanoate;hydrochloride
PubChem CID146472311
Molecular FormulaC8H16ClNO3
Molecular Weight209.67 g/mol
Exact Mass209.08
IUPAC Namemethyl 3-morpholin-2-ylpropanoate;hydrochloride
SMILESCOC(=O)CCC1CNCCO1.Cl
InChIInChI=1S/C8H15NO3.ClH/c1-11-8(10)3-2-7-6-9-4-5-12-7;/h7,9H,2-6H2,1H3;1H
InChIKeyJMLMNAZUGZHSFJ-UHFFFAOYSA-N
XLogP0.35
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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

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Frequently Asked Questions

What is the IUPAC name of methyl 3-morpholin-2-ylpropanoate;hydrochloride?
The IUPAC name of methyl 3-morpholin-2-ylpropanoate;hydrochloride (CID 146472311) is methyl 3-morpholin-2-ylpropanoate;hydrochloride.
What is the SMILES notation for methyl 3-morpholin-2-ylpropanoate;hydrochloride?
The canonical SMILES for methyl 3-morpholin-2-ylpropanoate;hydrochloride is COC(=O)CCC1CNCCO1.Cl.
What is the InChIKey of methyl 3-morpholin-2-ylpropanoate;hydrochloride?
The InChIKey is JMLMNAZUGZHSFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3.ClH/c1-11-8(10)3-2-7-6-9-4-5-12-7;/h7,9H,2-6H2,1H3;1H.
What are the key properties of methyl 3-morpholin-2-ylpropanoate;hydrochloride?
methyl 3-morpholin-2-ylpropanoate;hydrochloride has a molecular weight of 209.67 g/mol, XLogP of 0.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-morpholin-2-ylpropanoate;hydrochloride is sourced from PubChem (CID 146472311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).