(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid

C20H21NO6 — CID 125154179

IUPAC(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ccccc2OCCOc2ccccc2)CCO1
InChIInChI=1S/C20H21NO6/c22-19(21-10-11-26-18(14-21)20(23)24)16-8-4-5-9-17(16)27-13-12-25-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,24)/t18-/m1/s1
InChIKeyYSBKBRBOXQXFIG-GOSISDBHSA-N
MW371.39 g/mol
LogP2.07
Rot. Bonds7

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

(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid (PubChem CID 125154179) has the molecular formula C20H21NO6 and a molecular weight of 371.39 g/mol. Its IUPAC name is (2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
PubChem CID125154179
Molecular FormulaC20H21NO6
Molecular Weight371.39 g/mol
Exact Mass371.14
IUPAC Name(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid
SMILESO=C(O)[C@H]1CN(C(=O)c2ccccc2OCCOc2ccccc2)CCO1
InChIInChI=1S/C20H21NO6/c22-19(21-10-11-26-18(14-21)20(23)24)16-8-4-5-9-17(16)27-13-12-25-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,24)/t18-/m1/s1
InChIKeyYSBKBRBOXQXFIG-GOSISDBHSA-N
XLogP2.07
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(2-ethoxyethoxy)benzoyl]morpholine-2-carboxylic acid
CID 119238984
azepan-1-yl-[2-(2-phenoxyethoxy)phenyl]methanone
CID 4954316
4-(2-ethoxybenzoyl)-N'-hydroxymorpholine-2-carboximidamide
CID 79670841
(2S)-4-[2-(2-phenylethyl)benzoyl]morpholine-2-carboxylic acid
CID 125153634
1-[2-(2-phenoxyethoxy)benzoyl]piperidine-4-carboxamide
CID 31302453
[4-(4-fluorophenyl)piperazin-1-yl]-[2-(2-phenoxyethoxy)phenyl]methanone
CID 46797418
(2S)-4-[4-(2-fluorophenoxy)butanoyl]morpholine-2-carboxylic acid
CID 125120396
4-(2-ethoxypyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 119239609
(2R)-4-[2-(thiophene-2-carbonyl)benzoyl]morpholine-2-carboxylic acid
CID 125152797
1-[2-(2-methoxyethoxy)benzoyl]-5-methylpiperidine-3-carboxylic acid
CID 122119800
(2S)-4-(2-pyrazol-1-ylpyridine-3-carbonyl)morpholine-2-carboxylic acid
CID 125153617
N'-hydroxy-4-(2-methoxybenzoyl)morpholine-2-carboximidamide
CID 79680362

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid?
The IUPAC name of (2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid (CID 125154179) is (2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid.
What is the SMILES notation for (2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid?
The canonical SMILES for (2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid is O=C(O)[C@H]1CN(C(=O)c2ccccc2OCCOc2ccccc2)CCO1.
What is the InChIKey of (2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid?
The InChIKey is YSBKBRBOXQXFIG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21NO6/c22-19(21-10-11-26-18(14-21)20(23)24)16-8-4-5-9-17(16)27-13-12-25-15-6-2-1-3-7-15/h1-9,18H,10-14H2,(H,23,24)/t18-/m1/s1.
What are the key properties of (2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid?
(2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid has a molecular weight of 371.39 g/mol, XLogP of 2.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[2-(2-phenoxyethoxy)benzoyl]morpholine-2-carboxylic acid is sourced from PubChem (CID 125154179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).