3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid

C13H15NO5 — CID 115060501

IUPAC3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid
SMILESO=C(O)CCC1COCC(=O)N1c1ccccc1O
InChIInChI=1S/C13H15NO5/c15-11-4-2-1-3-10(11)14-9(5-6-13(17)18)7-19-8-12(14)16/h1-4,9,15H,5-8H2,(H,17,18)
InChIKeyZAXVVONKEKOUBE-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.99
Rot. Bonds4

About 3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid

3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid (PubChem CID 115060501) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid.

Molecular Properties

Compound Name3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid
PubChem CID115060501
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid
SMILESO=C(O)CCC1COCC(=O)N1c1ccccc1O
InChIInChI=1S/C13H15NO5/c15-11-4-2-1-3-10(11)14-9(5-6-13(17)18)7-19-8-12(14)16/h1-4,9,15H,5-8H2,(H,17,18)
InChIKeyZAXVVONKEKOUBE-UHFFFAOYSA-N
XLogP0.99
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-chlorophenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009643
3-[4-[(2-methylphenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060609
3-[4-[(2-chlorophenyl)methyl]-5-oxomorpholin-3-yl]propanoic acid
CID 115060611
3-(4-cyclopropyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060435
3-(4-tert-butyl-5-oxomorpholin-3-yl)propanoic acid
CID 115060537
5-(3-aminopropyl)-4-(2-chlorophenyl)morpholin-3-one
CID 115060484
3-(5-oxo-4-propylmorpholin-3-yl)propanoic acid
CID 115060552
3-[5-oxo-4-(pyridin-4-ylmethyl)morpholin-3-yl]propanoic acid
CID 117009713
3-[4-(2-ethylphenyl)morpholin-3-yl]propanoic acid
CID 117009412
3-[2-(3,5-dioxomorpholin-4-yl)phenyl]propanoic acid
CID 107272642
5-(3-aminopropyl)-4-(4-hydroxyphenyl)morpholin-3-one
CID 115060512
4-(5-chloro-2-methylphenyl)-5-(2-hydroxyethyl)morpholin-3-one
CID 117009647

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid?
The IUPAC name of 3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid (CID 115060501) is 3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid.
What is the SMILES notation for 3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid?
The canonical SMILES for 3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid is O=C(O)CCC1COCC(=O)N1c1ccccc1O.
What is the InChIKey of 3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid?
The InChIKey is ZAXVVONKEKOUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c15-11-4-2-1-3-10(11)14-9(5-6-13(17)18)7-19-8-12(14)16/h1-4,9,15H,5-8H2,(H,17,18).
What are the key properties of 3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid?
3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid has a molecular weight of 265.26 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-hydroxyphenyl)-5-oxomorpholin-3-yl]propanoic acid is sourced from PubChem (CID 115060501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).