2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid

C14H17NO5 — CID 115068259

IUPAC2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid
SMILESCC1(CC(=O)O)CN(Cc2ccccc2O)C(=O)CO1
InChIInChI=1S/C14H17NO5/c1-14(6-13(18)19)9-15(12(17)8-20-14)7-10-4-2-3-5-11(10)16/h2-5,16H,6-9H2,1H3,(H,18,19)
InChIKeyUPDDMWKOTYDYJT-UHFFFAOYSA-N
MW279.29 g/mol
LogP0.98
Rot. Bonds4

About 2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid

2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid (PubChem CID 115068259) has the molecular formula C14H17NO5 and a molecular weight of 279.29 g/mol. Its IUPAC name is 2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid
PubChem CID115068259
Molecular FormulaC14H17NO5
Molecular Weight279.29 g/mol
Exact Mass279.11
IUPAC Name2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid
SMILESCC1(CC(=O)O)CN(Cc2ccccc2O)C(=O)CO1
InChIInChI=1S/C14H17NO5/c1-14(6-13(18)19)9-15(12(17)8-20-14)7-10-4-2-3-5-11(10)16/h2-5,16H,6-9H2,1H3,(H,18,19)
InChIKeyUPDDMWKOTYDYJT-UHFFFAOYSA-N
XLogP0.98
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid (CID 115068259) is 2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid is CC1(CC(=O)O)CN(Cc2ccccc2O)C(=O)CO1.
What is the InChIKey of 2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid?
The InChIKey is UPDDMWKOTYDYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO5/c1-14(6-13(18)19)9-15(12(17)8-20-14)7-10-4-2-3-5-11(10)16/h2-5,16H,6-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid?
2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid has a molecular weight of 279.29 g/mol, XLogP of 0.98, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(2-hydroxyphenyl)methyl]-2-methyl-5-oxomorpholin-2-yl]acetic acid is sourced from PubChem (CID 115068259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).