4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid

C16H21NO6 — CID 119238984

IUPAC4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid
SMILESCCOCCOc1ccccc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C16H21NO6/c1-2-21-9-10-23-13-6-4-3-5-12(13)15(18)17-7-8-22-14(11-17)16(19)20/h3-6,14H,2,7-11H2,1H3,(H,19,20)
InChIKeyZQICPMDZUOQRPG-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.03
Rot. Bonds7

About 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid

4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid (PubChem CID 119238984) has the molecular formula C16H21NO6 and a molecular weight of 323.35 g/mol. Its IUPAC name is 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid
PubChem CID119238984
Molecular FormulaC16H21NO6
Molecular Weight323.35 g/mol
Exact Mass323.14
IUPAC Name4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid
SMILESCCOCCOc1ccccc1C(=O)N1CCOC(C(=O)O)C1
InChIInChI=1S/C16H21NO6/c1-2-21-9-10-23-13-6-4-3-5-12(13)15(18)17-7-8-22-14(11-17)16(19)20/h3-6,14H,2,7-11H2,1H3,(H,19,20)
InChIKeyZQICPMDZUOQRPG-UHFFFAOYSA-N
XLogP1.03
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 125154179
(3S,4S)-1-[2-(2-ethoxyethoxy)benzoyl]-4-methylpyrrolidine-3-carboxylic acid
CID 120953153
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670841
3-[(3R)-1-[2-(2-ethoxyethoxy)benzoyl]piperidin-3-yl]benzoic acid
CID 97194543
[2-(2-ethoxyethoxy)phenyl]-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone
CID 86889077
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
[(3aS,7aR)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[2-(2-ethoxyethoxy)phenyl]methanone
CID 133126045
(2S)-4-[4-(2-fluorophenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125120396
N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
CID 79680362
1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119800
2-[[4-[2-[2-(dimethylamino)ethoxy]benzoyl]morpholin-2-yl]methyl-methylamino]acetic acid
CID 120607008

Frequently Asked Questions

What is the IUPAC name of 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid (CID 119238984) is 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid is CCOCCOc1ccccc1C(=O)N1CCOC(C(=O)O)C1.
What is the InChIKey of 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is ZQICPMDZUOQRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO6/c1-2-21-9-10-23-13-6-4-3-5-12(13)15(18)17-7-8-22-14(11-17)16(19)20/h3-6,14H,2,7-11H2,1H3,(H,19,20).
What are the key properties of 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid?
4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 323.35 g/mol, XLogP of 1.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 119238984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).