3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

C14H17NO6 — CID 2363825

IUPAC3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H17NO6/c1-19-12-8-10(14(17)18)2-3-11(12)21-9-13(16)15-4-6-20-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,18)
InChIKeyGKPUCROOEMQHEZ-UHFFFAOYSA-N
MW295.29 g/mol
LogP0.63
Rot. Bonds5

About 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid

3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (PubChem CID 2363825) has the molecular formula C14H17NO6 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.

Molecular Properties

Compound Name3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
PubChem CID2363825
Molecular FormulaC14H17NO6
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
SMILESCOc1cc(C(=O)O)ccc1OCC(=O)N1CCOCC1
InChIInChI=1S/C14H17NO6/c1-19-12-8-10(14(17)18)2-3-11(12)21-9-13(16)15-4-6-20-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,18)
InChIKeyGKPUCROOEMQHEZ-UHFFFAOYSA-N
XLogP0.63
TPSA85.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-ethoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid
CID 5169130
2-[2-methoxy-4-(morpholine-4-carbothioyl)phenoxy]-1-pyrrolidin-1-ylethanone
CID 1284834
2-(4-bromo-2-methoxyphenoxy)-1-morpholin-4-ylethanone
CID 169336855
1-[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoyl]piperidine-4-carboxamide
CID 4850069
[(1S)-1-cyanoethyl] 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 7277925
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)-N-(2-phenylphenyl)benzamide
CID 4876101
(4-bromophenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 25440659
2-[4-[(iodomethylamino)methyl]-2-methoxyphenoxy]-1-morpholin-4-ylethanone
CID 126537590
[3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)phenyl]thiourea
CID 169358575
N-(1-benzylpiperidin-4-yl)-3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzamide
CID 4847857
(3-methoxyphenyl)methyl 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoate
CID 16569033
3-methoxy-N'-[2-(4-methylphenoxy)acetyl]-4-(2-morpholin-4-yl-2-oxoethoxy)benzohydrazide
CID 25163897

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The IUPAC name of 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid (CID 2363825) is 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid.
What is the SMILES notation for 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The canonical SMILES for 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is COc1cc(C(=O)O)ccc1OCC(=O)N1CCOCC1.
What is the InChIKey of 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
The InChIKey is GKPUCROOEMQHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO6/c1-19-12-8-10(14(17)18)2-3-11(12)21-9-13(16)15-4-6-20-7-5-15/h2-3,8H,4-7,9H2,1H3,(H,17,18).
What are the key properties of 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid?
3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid has a molecular weight of 295.29 g/mol, XLogP of 0.63, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-(2-morpholin-4-yl-2-oxoethoxy)benzoic acid is sourced from PubChem (CID 2363825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).