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

C16H23NO5 — CID 56657934

IUPACmethyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1C[C@@H](CO)O[C@H](OC)C1
InChIInChI=1S/C16H23NO5/c1-20-15-10-17(9-13(11-18)22-15)14(16(19)21-2)8-12-6-4-3-5-7-12/h3-7,13-15,18H,8-11H2,1-2H3/t13-,14?,15-/m0/s1
InChIKeyUUJXYYVBGKIOGU-LWEDLAQUSA-N
MW309.36 g/mol
LogP0.44
Rot. Bonds6

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

methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate (PubChem CID 56657934) has the molecular formula C16H23NO5 and a molecular weight of 309.36 g/mol. Its IUPAC name is methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate.

Molecular Properties

Compound Namemethyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate
PubChem CID56657934
Molecular FormulaC16H23NO5
Molecular Weight309.36 g/mol
Exact Mass309.16
IUPAC Namemethyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate
SMILESCOC(=O)C(Cc1ccccc1)N1C[C@@H](CO)O[C@H](OC)C1
InChIInChI=1S/C16H23NO5/c1-20-15-10-17(9-13(11-18)22-15)14(16(19)21-2)8-12-6-4-3-5-7-12/h3-7,13-15,18H,8-11H2,1-2H3/t13-,14?,15-/m0/s1
InChIKeyUUJXYYVBGKIOGU-LWEDLAQUSA-N
XLogP0.44
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.36
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate?
The IUPAC name of methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate (CID 56657934) is methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate.
What is the SMILES notation for methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate?
The canonical SMILES for methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate is COC(=O)C(Cc1ccccc1)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-phenylpropanoate?
The InChIKey is UUJXYYVBGKIOGU-LWEDLAQUSA-N. The full InChI is InChI=1S/C16H23NO5/c1-20-15-10-17(9-13(11-18)22-15)14(16(19)21-2)8-12-6-4-3-5-7-12/h3-7,13-15,18H,8-11H2,1-2H3/t13-,14?,15-/m0/s1.
What are the key properties of methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate?
methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate has a molecular weight of 309.36 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2S,6S)-2-(hydroxymethyl)-6-methoxymorpholin-4-yl]-3-phenylpropanoate is sourced from PubChem (CID 56657934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).