4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid

C17H21NO6 — CID 119216307

IUPAC4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H21NO6/c19-16(18-7-9-22-11-15(18)17(20)21)12-3-5-13(6-4-12)24-10-14-2-1-8-23-14/h3-6,14-15H,1-2,7-11H2,(H,20,21)
InChIKeyIRMVGPWRRKCILQ-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.17
Rot. Bonds5

About 4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid

4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid (PubChem CID 119216307) has the molecular formula C17H21NO6 and a molecular weight of 335.36 g/mol. Its IUPAC name is 4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
PubChem CID119216307
Molecular FormulaC17H21NO6
Molecular Weight335.36 g/mol
Exact Mass335.14
IUPAC Name4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid
SMILESO=C(O)C1COCCN1C(=O)c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C17H21NO6/c19-16(18-7-9-22-11-15(18)17(20)21)12-3-5-13(6-4-12)24-10-14-2-1-8-23-14/h3-6,14-15H,1-2,7-11H2,(H,20,21)
InChIKeyIRMVGPWRRKCILQ-UHFFFAOYSA-N
XLogP1.17
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901253
(2R)-1-[4-[[(2S)-oxolan-2-yl]methoxy]benzoyl]pyrrolidine-2-carboxamide
CID 95901252
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
CID 119215842
(2S)-1-[3-(oxolan-2-ylmethoxy)benzoyl]pyrrolidine-2-carboxylic acid
CID 119365942
(3S)-1-[4-(oxolan-2-ylmethoxy)benzoyl]piperidine-3-carboxylic acid
CID 119113571
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
(2R)-1-[3-[[(2S)-oxolan-2-yl]methoxy]benzoyl]piperidine-2-carboxylic acid
CID 125118825
(3S)-4-[2-[[(2S)-oxolan-2-yl]methoxy]acetyl]morpholine-3-carboxylic acid
CID 125152966
(3,3-dimethylmorpholin-4-yl)-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 94814885
4-(4-cyclohexylbenzoyl)morpholine-3-carboxylic acid
CID 119216482
[(2R)-4-methyl-2-phenylpiperazin-1-yl]-[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 51673103
4-[4-(3,4-difluorophenoxy)benzoyl]morpholine-3-carboxylic acid
CID 119215971

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid (CID 119216307) is 4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid is O=C(O)C1COCCN1C(=O)c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is IRMVGPWRRKCILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21NO6/c19-16(18-7-9-22-11-15(18)17(20)21)12-3-5-13(6-4-12)24-10-14-2-1-8-23-14/h3-6,14-15H,1-2,7-11H2,(H,20,21).
What are the key properties of 4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid?
4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 335.36 g/mol, XLogP of 1.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-2-ylmethoxy)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119216307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).