4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid

C11H13NO5 — CID 24709160

IUPAC4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
SMILESCNC(=O)COc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C11H13NO5/c1-12-10(13)6-17-9-5-7(11(14)15)3-4-8(9)16-2/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVMYAMSWNFVDQNW-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.52
Rot. Bonds5

About 4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid

4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid (PubChem CID 24709160) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is 4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid.

Molecular Properties

Compound Name4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
PubChem CID24709160
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid
SMILESCNC(=O)COc1cc(C(=O)O)ccc1OC
InChIInChI=1S/C11H13NO5/c1-12-10(13)6-17-9-5-7(11(14)15)3-4-8(9)16-2/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15)
InChIKeyVMYAMSWNFVDQNW-UHFFFAOYSA-N
XLogP0.52
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-3-[2-(methoxycarbonylamino)-2-oxoethoxy]benzoic acid
CID 79726833
4-methoxy-3-[3-(methylamino)-3-oxopropoxy]benzoic acid
CID 62326859
3-chloro-4-[2-(methylamino)-2-oxoethoxy]benzoic acid
CID 60693388
3,4-dimethoxybenzoic acid;methanol
CID 144580050
4-methoxy-3-(2,2,2-trifluoroethoxy)benzoic acid
CID 22707049
4-methoxy-3-[2-oxo-2-(1,3-thiazol-2-ylamino)ethoxy]benzoic acid
CID 79737424
2-[[3-methoxy-4-[2-(methylamino)-2-oxoethoxy]benzoyl]-methylamino]acetic acid
CID 119346726
4-(hydroxymethoxy)-3-methoxybenzoic acid
CID 142628335
4-[2-(ethoxycarbonylamino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 43215127
bis(3,4-dimethoxybenzoic acid);propane-1,2-diol
CID 70546989
2-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]-N-methylacetamide
CID 63000645
4-[2-(3-chloro-4-methoxyanilino)-2-oxoethoxy]-3-methoxybenzoic acid
CID 45397187

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid?
The IUPAC name of 4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid (CID 24709160) is 4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid.
What is the SMILES notation for 4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid?
The canonical SMILES for 4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid is CNC(=O)COc1cc(C(=O)O)ccc1OC.
What is the InChIKey of 4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid?
The InChIKey is VMYAMSWNFVDQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-12-10(13)6-17-9-5-7(11(14)15)3-4-8(9)16-2/h3-5H,6H2,1-2H3,(H,12,13)(H,14,15).
What are the key properties of 4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid?
4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid has a molecular weight of 239.23 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(methylamino)-2-oxoethoxy]benzoic acid is sourced from PubChem (CID 24709160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).