methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate

C12H15NO5 — CID 10706021

IUPACmethyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate
SMILESCOC(=O)c1ccc(NC(C)=O)c(CCO)c1O
InChIInChI=1S/C12H15NO5/c1-7(15)13-10-4-3-9(12(17)18-2)11(16)8(10)5-6-14/h3-4,14,16H,5-6H2,1-2H3,(H,13,15)
InChIKeyPSCJHQCRAUZQFQ-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.67
Rot. Bonds4

About methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate

methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate (PubChem CID 10706021) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate.

Molecular Properties

Compound Namemethyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate
PubChem CID10706021
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Namemethyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate
SMILESCOC(=O)c1ccc(NC(C)=O)c(CCO)c1O
InChIInChI=1S/C12H15NO5/c1-7(15)13-10-4-3-9(12(17)18-2)11(16)8(10)5-6-14/h3-4,14,16H,5-6H2,1-2H3,(H,13,15)
InChIKeyPSCJHQCRAUZQFQ-UHFFFAOYSA-N
XLogP0.67
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl 2,3-dihydroxybenzene-1,4-dicarboxylate;ethane
CID 143693059
methyl 4-acetamido-3-but-3-en-2-yl-2-hydroxybenzoate
CID 10825430
methyl 2-hydroxy-4-methoxy-3-propylbenzoate
CID 14719500
dimethyl 4-acetamidobenzene-1,3-dicarboxylate
CID 2802943
methyl 2-acetamido-3-hydroxy-4-methylbenzoate
CID 139590400
methyl 2-acetamido-5-fluorobenzoate
CID 60786102
methyl 2-acetamido-4-chlorobenzoate
CID 2800203
methyl 2-acetamido-4-(iodooxymethyl)benzoate
CID 59363425
methyl 2-acetamido-4-(hydrazinecarbonyl)benzoate
CID 67050072
methyl 2,3-dihydroxy-4-methoxybenzoate
CID 11694090
methyl 2-hydroxy-3-(hydroxymethyl)benzoate
CID 54246985
tetramethyl naphthalene-1,4,5,8-tetracarboxylate
CID 520552

Frequently Asked Questions

What is the IUPAC name of methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate?
The IUPAC name of methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate (CID 10706021) is methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate.
What is the SMILES notation for methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate?
The canonical SMILES for methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate is COC(=O)c1ccc(NC(C)=O)c(CCO)c1O.
What is the InChIKey of methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate?
The InChIKey is PSCJHQCRAUZQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c1-7(15)13-10-4-3-9(12(17)18-2)11(16)8(10)5-6-14/h3-4,14,16H,5-6H2,1-2H3,(H,13,15).
What are the key properties of methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate?
methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate has a molecular weight of 253.25 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetamido-2-hydroxy-3-(2-hydroxyethyl)benzoate is sourced from PubChem (CID 10706021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).