2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid

C12H13NO4 — CID 117341791

IUPAC2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C12H13NO4/c14-11(12(15)16)9-3-1-2-4-10(9)13-5-7-17-8-6-13/h1-4H,5-8H2,(H,15,16)
InChIKeyWUUSQKMBOVHBJW-UHFFFAOYSA-N
MW235.24 g/mol
LogP0.79
Rot. Bonds3

About 2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid

2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid (PubChem CID 117341791) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid.

Molecular Properties

Compound Name2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
PubChem CID117341791
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid
SMILESO=C(O)C(=O)c1ccccc1N1CCOCC1
InChIInChI=1S/C12H13NO4/c14-11(12(15)16)9-3-1-2-4-10(9)13-5-7-17-8-6-13/h1-4H,5-8H2,(H,15,16)
InChIKeyWUUSQKMBOVHBJW-UHFFFAOYSA-N
XLogP0.79
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-ylbenzohydrazide
CID 7148386
2-chloro-3-morpholin-4-ylbenzoic acid
CID 155573324
3-[(2-morpholin-4-ylbenzoyl)amino]propanoic acid
CID 119350882
(3R)-1-(2-morpholin-4-ylbenzoyl)pyrrolidine-3-carboxylic acid
CID 125148963
methylsulfanylmethyl 2-morpholin-4-ylbenzoate
CID 174939418
2-(4-morpholin-4-ylbenzoyl)benzoic acid
CID 20536938
4-(2-morpholin-4-ylphenyl)piperazine-1-carbonyl chloride
CID 118526836
methyl 2-methoxy-3-morpholin-4-ylbenzoate
CID 162506076
2-(2-morpholin-4-ylphenyl)penta-2,4-dienal
CID 90811262
2-methyl-3-morpholin-4-ylbenzoate
CID 7148425
(2S,4S)-1-methyl-4-[(2-morpholin-4-ylbenzoyl)amino]pyrrolidine-2-carboxylic acid
CID 118763707
4-azatricyclo[4.3.1.13,8]undecan-4-yl-(2-morpholin-4-ylphenyl)methanone
CID 51100287

Frequently Asked Questions

What is the IUPAC name of 2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid?
The IUPAC name of 2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid (CID 117341791) is 2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid.
What is the SMILES notation for 2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid?
The canonical SMILES for 2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid is O=C(O)C(=O)c1ccccc1N1CCOCC1.
What is the InChIKey of 2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid?
The InChIKey is WUUSQKMBOVHBJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c14-11(12(15)16)9-3-1-2-4-10(9)13-5-7-17-8-6-13/h1-4H,5-8H2,(H,15,16).
What are the key properties of 2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid?
2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid has a molecular weight of 235.24 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-morpholin-4-ylphenyl)-2-oxoacetic acid is sourced from PubChem (CID 117341791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).