[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

C11H13NO5 — CID 18075718

IUPAC[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
SMILESCNC(=O)COC(=O)c1cccc(OC)c1O
InChIInChI=1S/C11H13NO5/c1-12-9(13)6-17-11(15)7-4-3-5-8(16-2)10(7)14/h3-5,14H,6H2,1-2H3,(H,12,13)
InChIKeyJHPZFIOBMMSMFQ-UHFFFAOYSA-N
MW239.23 g/mol
LogP0.30
Rot. Bonds4

About [2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate

[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate (PubChem CID 18075718) has the molecular formula C11H13NO5 and a molecular weight of 239.23 g/mol. Its IUPAC name is [2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate.

Molecular Properties

Compound Name[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
PubChem CID18075718
Molecular FormulaC11H13NO5
Molecular Weight239.23 g/mol
Exact Mass239.08
IUPAC Name[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
SMILESCNC(=O)COC(=O)c1cccc(OC)c1O
InChIInChI=1S/C11H13NO5/c1-12-9(13)6-17-11(15)7-4-3-5-8(16-2)10(7)14/h3-5,14H,6H2,1-2H3,(H,12,13)
InChIKeyJHPZFIOBMMSMFQ-UHFFFAOYSA-N
XLogP0.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(pentan-3-ylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075722
[2-(4-methoxyanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075546
[2-[1-(2-methoxyphenyl)ethylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18192145
[2-oxo-2-(2-phenylethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18075571
[2-[(2-methylphenyl)methylamino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18201736
[2-(cyclohexylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075577
[2-oxo-2-(2-phenoxyethylamino)ethyl] 2-hydroxy-3-methoxybenzoate
CID 18193579
[2-(3,4-difluoroanilino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 18075540
prop-2-enyl 2-hydroxy-3-methoxybenzoate
CID 142667265
[2-oxo-2-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)amino]ethyl] 2-hydroxy-3-methoxybenzoate
CID 24687138
[2-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]amino]-2-oxoethyl] 2-hydroxy-3-methoxybenzoate
CID 29182445
benzyl 2-hydroxy-3-methoxybenzoate
CID 18075523

Frequently Asked Questions

What is the IUPAC name of [2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The IUPAC name of [2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate (CID 18075718) is [2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate.
What is the SMILES notation for [2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The canonical SMILES for [2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate is CNC(=O)COC(=O)c1cccc(OC)c1O.
What is the InChIKey of [2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
The InChIKey is JHPZFIOBMMSMFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO5/c1-12-9(13)6-17-11(15)7-4-3-5-8(16-2)10(7)14/h3-5,14H,6H2,1-2H3,(H,12,13).
What are the key properties of [2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate?
[2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate has a molecular weight of 239.23 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(methylamino)-2-oxoethyl] 2-hydroxy-3-methoxybenzoate is sourced from PubChem (CID 18075718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).