2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid

C14H19NO5 — CID 43803253

IUPAC2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid
SMILESCOc1cc(C(C)(C(=O)O)N2CCOCC2)ccc1O
InChIInChI=1S/C14H19NO5/c1-14(13(17)18,15-5-7-20-8-6-15)10-3-4-11(16)12(9-10)19-2/h3-4,9,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyDHADMZPOAZZNAC-UHFFFAOYSA-N
MW281.31 g/mol
LogP1.03
Rot. Bonds4

About 2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid

2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid (PubChem CID 43803253) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid.

Molecular Properties

Compound Name2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid
PubChem CID43803253
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid
SMILESCOc1cc(C(C)(C(=O)O)N2CCOCC2)ccc1O
InChIInChI=1S/C14H19NO5/c1-14(13(17)18,15-5-7-20-8-6-15)10-3-4-11(16)12(9-10)19-2/h3-4,9,16H,5-8H2,1-2H3,(H,17,18)
InChIKeyDHADMZPOAZZNAC-UHFFFAOYSA-N
XLogP1.03
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid?
The IUPAC name of 2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid (CID 43803253) is 2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid.
What is the SMILES notation for 2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid?
The canonical SMILES for 2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid is COc1cc(C(C)(C(=O)O)N2CCOCC2)ccc1O.
What is the InChIKey of 2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid?
The InChIKey is DHADMZPOAZZNAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c1-14(13(17)18,15-5-7-20-8-6-15)10-3-4-11(16)12(9-10)19-2/h3-4,9,16H,5-8H2,1-2H3,(H,17,18).
What are the key properties of 2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid?
2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid has a molecular weight of 281.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hydroxy-3-methoxyphenyl)-2-morpholin-4-ylpropanoic acid is sourced from PubChem (CID 43803253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).