2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid

C15H19NO6 — CID 119942694

IUPAC2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
SMILESCOc1cccc(OC)c1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H19NO6/c1-20-11-4-3-5-12(21-2)14(11)15(19)16-6-7-22-10(9-16)8-13(17)18/h3-5,10H,6-9H2,1-2H3,(H,17,18)
InChIKeyYVHHKTRVAQOFNW-UHFFFAOYSA-N
MW309.32 g/mol
LogP1.02
Rot. Bonds5

About 2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid

2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid (PubChem CID 119942694) has the molecular formula C15H19NO6 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
PubChem CID119942694
Molecular FormulaC15H19NO6
Molecular Weight309.32 g/mol
Exact Mass309.12
IUPAC Name2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid
SMILESCOc1cccc(OC)c1C(=O)N1CCOC(CC(=O)O)C1
InChIInChI=1S/C15H19NO6/c1-20-11-4-3-5-12(21-2)14(11)15(19)16-6-7-22-10(9-16)8-13(17)18/h3-5,10H,6-9H2,1-2H3,(H,17,18)
InChIKeyYVHHKTRVAQOFNW-UHFFFAOYSA-N
XLogP1.02
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(2-fluoro-6-methoxybenzoyl)morpholin-2-yl]acetic acid
CID 66435743
2-[4-(8-methoxy-2H-chromene-3-carbonyl)morpholin-2-yl]acetic acid
CID 119247509
2-[(2S)-4-(4-bromo-3,5-dimethoxybenzoyl)morpholin-2-yl]acetic acid
CID 129465784
[2-(chloromethyl)morpholin-4-yl]-(2-fluoro-6-methoxyphenyl)methanone
CID 81211064
2-[4-[3-(2-methoxyphenyl)-2,2-dimethylpropanoyl]morpholin-2-yl]acetic acid
CID 119249045
2-[(2R)-4-[(3S)-3-(2-methoxyphenyl)butanoyl]morpholin-2-yl]acetic acid
CID 125132179
2-[4-[(E)-3-(2-methoxyphenyl)prop-2-enoyl]morpholin-2-yl]acetic acid
CID 75374480
2-[4-(2-methoxy-5-sulfamoylbenzoyl)morpholin-2-yl]acetic acid
CID 119247934
2-[4-[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]morpholin-2-yl]acetic acid
CID 126789660
2-[4-(3-bromo-2-methylbenzoyl)morpholin-2-yl]acetic acid
CID 66434767
2-[4-(2,6-difluoro-3-methylbenzoyl)morpholin-2-yl]acetic acid
CID 82798384
(2-methoxy-6-methylphenyl)-[2-(4-methylpentyl)morpholin-4-yl]methanone
CID 56875364

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid?
The IUPAC name of 2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid (CID 119942694) is 2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid.
What is the SMILES notation for 2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid?
The canonical SMILES for 2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid is COc1cccc(OC)c1C(=O)N1CCOC(CC(=O)O)C1.
What is the InChIKey of 2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid?
The InChIKey is YVHHKTRVAQOFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO6/c1-20-11-4-3-5-12(21-2)14(11)15(19)16-6-7-22-10(9-16)8-13(17)18/h3-5,10H,6-9H2,1-2H3,(H,17,18).
What are the key properties of 2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid?
2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid has a molecular weight of 309.32 g/mol, XLogP of 1.02, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,6-dimethoxybenzoyl)morpholin-2-yl]acetic acid is sourced from PubChem (CID 119942694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).