methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate

C13H17NO6 — CID 108745791

IUPACmethyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
SMILESCOCCOCC(=O)Nc1cccc(C(=O)OC)c1O
InChIInChI=1S/C13H17NO6/c1-18-6-7-20-8-11(15)14-10-5-3-4-9(12(10)16)13(17)19-2/h3-5,16H,6-8H2,1-2H3,(H,14,15)
InChIKeyJPRYRGGWCWTYDH-UHFFFAOYSA-N
MW283.28 g/mol
LogP0.78
Rot. Bonds7

About methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate

methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate (PubChem CID 108745791) has the molecular formula C13H17NO6 and a molecular weight of 283.28 g/mol. Its IUPAC name is methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
PubChem CID108745791
Molecular FormulaC13H17NO6
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Namemethyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
SMILESCOCCOCC(=O)Nc1cccc(C(=O)OC)c1O
InChIInChI=1S/C13H17NO6/c1-18-6-7-20-8-11(15)14-10-5-3-4-9(12(10)16)13(17)19-2/h3-5,16H,6-8H2,1-2H3,(H,14,15)
InChIKeyJPRYRGGWCWTYDH-UHFFFAOYSA-N
XLogP0.78
TPSA94.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 3-[(2-chloroacetyl)amino]-2-hydroxybenzoate
CID 50989106
2-hydroxy-3-[(2-propoxyacetyl)amino]benzoic acid
CID 114018262
methyl 2-hydroxy-3-(3-methylbutanoylamino)benzoate
CID 108768054
methyl 2-hydroxy-3-[(2-phenylacetyl)amino]benzoate
CID 108768071
methyl 3-[[2-(4-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543383
methyl 3-[[2-(2-ethylphenoxy)acetyl]amino]-2-hydroxybenzoate
CID 56543416
methyl 2-hydroxy-3-[[2-[2-(trifluoromethyl)phenoxy]acetyl]amino]benzoate
CID 56543418
methyl 4,5-dimethoxy-2-[[2-(2-methoxyethoxy)acetyl]amino]benzoate
CID 43037508
methyl 3-(butoxycarbonylamino)-2-hydroxybenzoate
CID 108745812
methyl 3-(2,2-dimethylpropanoylamino)-2-hydroxybenzoate
CID 23520841
methyl 3-[(2-bromobenzoyl)amino]-2-hydroxybenzoate
CID 108768060
2-chloro-6-[[2-(2-methoxyethoxy)acetyl]amino]benzoic acid
CID 63724965

Frequently Asked Questions

What is the IUPAC name of methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
The IUPAC name of methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate (CID 108745791) is methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate.
What is the SMILES notation for methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
The canonical SMILES for methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate is COCCOCC(=O)Nc1cccc(C(=O)OC)c1O.
What is the InChIKey of methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
The InChIKey is JPRYRGGWCWTYDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO6/c1-18-6-7-20-8-11(15)14-10-5-3-4-9(12(10)16)13(17)19-2/h3-5,16H,6-8H2,1-2H3,(H,14,15).
What are the key properties of methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate?
methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate has a molecular weight of 283.28 g/mol, XLogP of 0.78, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-hydroxy-3-[[2-(2-methoxyethoxy)acetyl]amino]benzoate is sourced from PubChem (CID 108745791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).