(2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride

C15H22ClNO5 — CID 3034965

IUPAC(2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride
SMILESCOc1cccc(OC)c1OC(=O)[C@@H](C)N1CCOCC1.Cl
InChIInChI=1S/C15H21NO5.ClH/c1-11(16-7-9-20-10-8-16)15(17)21-14-12(18-2)5-4-6-13(14)19-3;/h4-6,11H,7-10H2,1-3H3;1H/t11-;/m1./s1
InChIKeyWOMVMPNQSSOFPY-RFVHGSKJSA-N
MW331.80 g/mol
LogP1.75
Rot. Bonds5

About (2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride

(2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride (PubChem CID 3034965) has the molecular formula C15H22ClNO5 and a molecular weight of 331.80 g/mol. Its IUPAC name is (2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride.

Molecular Properties

Compound Name(2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride
PubChem CID3034965
Molecular FormulaC15H22ClNO5
Molecular Weight331.80 g/mol
Exact Mass331.12
IUPAC Name(2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride
SMILESCOc1cccc(OC)c1OC(=O)[C@@H](C)N1CCOCC1.Cl
InChIInChI=1S/C15H21NO5.ClH/c1-11(16-7-9-20-10-8-16)15(17)21-14-12(18-2)5-4-6-13(14)19-3;/h4-6,11H,7-10H2,1-3H3;1H/t11-;/m1./s1
InChIKeyWOMVMPNQSSOFPY-RFVHGSKJSA-N
XLogP1.75
TPSA57.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride?
The IUPAC name of (2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride (CID 3034965) is (2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride.
What is the SMILES notation for (2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride?
The canonical SMILES for (2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride is COc1cccc(OC)c1OC(=O)[C@@H](C)N1CCOCC1.Cl.
What is the InChIKey of (2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride?
The InChIKey is WOMVMPNQSSOFPY-RFVHGSKJSA-N. The full InChI is InChI=1S/C15H21NO5.ClH/c1-11(16-7-9-20-10-8-16)15(17)21-14-12(18-2)5-4-6-13(14)19-3;/h4-6,11H,7-10H2,1-3H3;1H/t11-;/m1./s1.
What are the key properties of (2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride?
(2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride has a molecular weight of 331.80 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethoxyphenyl) (2R)-2-morpholin-4-ylpropanoate;hydrochloride is sourced from PubChem (CID 3034965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).