4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid

C13H15NO5 — CID 115068184

IUPAC4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
SMILESCOc1ccccc1N1CC(C)(C(=O)O)OCC1=O
InChIInChI=1S/C13H15NO5/c1-13(12(16)17)8-14(11(15)7-19-13)9-5-3-4-6-10(9)18-2/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyZUXOJFWBDIQMEP-UHFFFAOYSA-N
MW265.26 g/mol
LogP0.90
Rot. Bonds3

About 4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid

4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid (PubChem CID 115068184) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
PubChem CID115068184
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid
SMILESCOc1ccccc1N1CC(C)(C(=O)O)OCC1=O
InChIInChI=1S/C13H15NO5/c1-13(12(16)17)8-14(11(15)7-19-13)9-5-3-4-6-10(9)18-2/h3-6H,7-8H2,1-2H3,(H,16,17)
InChIKeyZUXOJFWBDIQMEP-UHFFFAOYSA-N
XLogP0.90
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenyl)-2,2-dimethyl-1,4-diazepan-5-one
CID 117023693
7,16-bis(2-methoxyphenyl)-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane-6,17-dione
CID 11016587
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
3-hydroxy-1-(2-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 115041955
1-(2-methoxyphenyl)-6-oxopiperidine-3-carboxylic acid
CID 62301551
6-(2-hydroxyethyl)-4-[(2-methoxyphenyl)methyl]-6-methylmorpholin-3-one
CID 115067735
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
1-(2-methoxyphenyl)-4-(morpholine-4-carbonyl)pyrrolidin-2-one
CID 18886001
3-[4-(2-methoxyphenyl)-2,6-dioxopiperazin-1-yl]propanoic acid
CID 82346597
(3S)-3-(4-methoxybenzoyl)-1-(2-methoxyphenyl)-3-methylpyrrolidin-2-one
CID 130404559
1-[2-(3-methoxypropoxy)phenyl]-5,5-dimethylpiperazin-2-one
CID 66645735
(4R)-1-(2-methoxyphenyl)-4-(4-phenylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 8713514

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid?
The IUPAC name of 4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid (CID 115068184) is 4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid.
What is the SMILES notation for 4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid?
The canonical SMILES for 4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid is COc1ccccc1N1CC(C)(C(=O)O)OCC1=O.
What is the InChIKey of 4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid?
The InChIKey is ZUXOJFWBDIQMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-13(12(16)17)8-14(11(15)7-19-13)9-5-3-4-6-10(9)18-2/h3-6H,7-8H2,1-2H3,(H,16,17).
What are the key properties of 4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid?
4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid has a molecular weight of 265.26 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyphenyl)-2-methyl-5-oxomorpholine-2-carboxylic acid is sourced from PubChem (CID 115068184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).