2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid

C15H19NO5 — CID 82808741

IUPAC2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
SMILESCc1c(OCC(=O)N2CCOC(C)C2)cccc1C(=O)O
InChIInChI=1S/C15H19NO5/c1-10-8-16(6-7-20-10)14(17)9-21-13-5-3-4-12(11(13)2)15(18)19/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeySQPKONCFOARPLL-UHFFFAOYSA-N
MW293.32 g/mol
LogP1.32
Rot. Bonds4

About 2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid

2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid (PubChem CID 82808741) has the molecular formula C15H19NO5 and a molecular weight of 293.32 g/mol. Its IUPAC name is 2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
PubChem CID82808741
Molecular FormulaC15H19NO5
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
SMILESCc1c(OCC(=O)N2CCOC(C)C2)cccc1C(=O)O
InChIInChI=1S/C15H19NO5/c1-10-8-16(6-7-20-10)14(17)9-21-13-5-3-4-12(11(13)2)15(18)19/h3-5,10H,6-9H2,1-2H3,(H,18,19)
InChIKeySQPKONCFOARPLL-UHFFFAOYSA-N
XLogP1.32
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-6-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid
CID 107014045
2-(4-fluorophenoxy)-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 94527179
2-(2,5-dichlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 110309986
2-(4-chlorophenoxy)-1-(2-methylmorpholin-4-yl)ethanone
CID 52985807
methyl 5-methoxy-2-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoate
CID 47069672
2-[4-(4-fluorobenzoyl)phenoxy]-1-[(2S)-2-methylmorpholin-4-yl]ethanone
CID 30036278
1-[(2R)-2-methylmorpholin-4-yl]-2-[[6-(trifluoromethyl)-2-pyridinyl]oxy]ethanone
CID 97338117
2-(3-chloro-2-methylphenoxy)-1-(3-methylpiperazin-1-yl)ethanone
CID 119580291
N-[4-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]phenyl]acetamide
CID 51293775
2-(2-methoxyphenoxy)-1-[(2R)-2-phenylmorpholin-4-yl]ethanone
CID 31414964
2-amino-3-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 79778699
2-(2,3-dimethylphenoxy)-1-(3-hydroxypyrrolidin-1-yl)ethanone
CID 55132312

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid?
The IUPAC name of 2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid (CID 82808741) is 2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid is Cc1c(OCC(=O)N2CCOC(C)C2)cccc1C(=O)O.
What is the InChIKey of 2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid?
The InChIKey is SQPKONCFOARPLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO5/c1-10-8-16(6-7-20-10)14(17)9-21-13-5-3-4-12(11(13)2)15(18)19/h3-5,10H,6-9H2,1-2H3,(H,18,19).
What are the key properties of 2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid?
2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid has a molecular weight of 293.32 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 82808741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).