5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid

C13H15NO5 — CID 45304182

IUPAC5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
SMILESC=CCNC(=O)COc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C13H15NO5/c1-3-6-14-12(15)8-19-11-5-4-9(18-2)7-10(11)13(16)17/h3-5,7H,1,6,8H2,2H3,(H,14,15)(H,16,17)
InChIKeyCFBVYJZREPVCBR-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.07
Rot. Bonds7

About 5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid

5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid (PubChem CID 45304182) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid.

Molecular Properties

Compound Name5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
PubChem CID45304182
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
SMILESC=CCNC(=O)COc1ccc(OC)cc1C(=O)O
InChIInChI=1S/C13H15NO5/c1-3-6-14-12(15)8-19-11-5-4-9(18-2)7-10(11)13(16)17/h3-5,7H,1,6,8H2,2H3,(H,14,15)(H,16,17)
InChIKeyCFBVYJZREPVCBR-UHFFFAOYSA-N
XLogP1.07
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxyphenoxy)-N-prop-2-enylacetamide
CID 19204009
2-[2-(ethylaminomethyl)-5-methoxyphenoxy]-N-prop-2-enylacetamide
CID 61269643
2-[2-[(4-fluorophenyl)methylamino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 45419477
5-methoxy-2-[2-(2-methylbutan-2-ylamino)-2-oxoethoxy]benzoic acid
CID 60693177
5-methoxy-2-(2-methylidenebutoxy)benzoic acid
CID 66047074
2-(2,3-dichloroprop-2-enoxy)-5-methoxybenzoic acid
CID 79167882
2-(4-acetyl-2-methoxyphenoxy)-N-prop-2-enylacetamide
CID 24708758
5-methoxy-2-(3-methoxy-2,2-dimethyl-3-oxopropoxy)benzoic acid
CID 79624210
3-chloro-4-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid
CID 45303892
2-[4-[(1S)-1-hydroxyethyl]-2-methoxyphenoxy]-N-prop-2-enylacetamide
CID 63364462
2-butoxy-5-methoxybenzoic acid
CID 43213162
2-[2-[ethyl(methyl)amino]-2-oxoethoxy]-5-methoxybenzoic acid
CID 43309744

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid?
The IUPAC name of 5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid (CID 45304182) is 5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid.
What is the SMILES notation for 5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid?
The canonical SMILES for 5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid is C=CCNC(=O)COc1ccc(OC)cc1C(=O)O.
What is the InChIKey of 5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid?
The InChIKey is CFBVYJZREPVCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-3-6-14-12(15)8-19-11-5-4-9(18-2)7-10(11)13(16)17/h3-5,7H,1,6,8H2,2H3,(H,14,15)(H,16,17).
What are the key properties of 5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid?
5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-2-[2-oxo-2-(prop-2-enylamino)ethoxy]benzoic acid is sourced from PubChem (CID 45304182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).