methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate

C16H23NO6 — CID 56678511

IUPACmethyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)N1C[C@@H](CO)O[C@H](OC)C1
InChIInChI=1S/C16H23NO6/c1-21-15-9-17(8-13(10-18)23-15)14(16(20)22-2)7-11-3-5-12(19)6-4-11/h3-6,13-15,18-19H,7-10H2,1-2H3/t13-,14?,15-/m0/s1
InChIKeyKPERDEZRKBQFJI-LWEDLAQUSA-N
MW325.36 g/mol
LogP0.14
Rot. Bonds6

About methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate

methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate (PubChem CID 56678511) has the molecular formula C16H23NO6 and a molecular weight of 325.36 g/mol. Its IUPAC name is methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate
PubChem CID56678511
Molecular FormulaC16H23NO6
Molecular Weight325.36 g/mol
Exact Mass325.15
IUPAC Namemethyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(O)cc1)N1C[C@@H](CO)O[C@H](OC)C1
InChIInChI=1S/C16H23NO6/c1-21-15-9-17(8-13(10-18)23-15)14(16(20)22-2)7-11-3-5-12(19)6-4-11/h3-6,13-15,18-19H,7-10H2,1-2H3/t13-,14?,15-/m0/s1
InChIKeyKPERDEZRKBQFJI-LWEDLAQUSA-N
XLogP0.14
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.36
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate?
The IUPAC name of methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate (CID 56678511) is methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate.
What is the SMILES notation for methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate?
The canonical SMILES for methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate is COC(=O)C(Cc1ccc(O)cc1)N1C[C@@H](CO)O[C@H](OC)C1.
What is the InChIKey of methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate?
The InChIKey is KPERDEZRKBQFJI-LWEDLAQUSA-N. The full InChI is InChI=1S/C16H23NO6/c1-21-15-9-17(8-13(10-18)23-15)14(16(20)22-2)7-11-3-5-12(19)6-4-11/h3-6,13-15,18-19H,7-10H2,1-2H3/t13-,14?,15-/m0/s1.
What are the key properties of methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate?
methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate has a molecular weight of 325.36 g/mol, XLogP of 0.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-(4-hydroxyphenyl)propanoate is sourced from PubChem (CID 56678511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).