4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid

C12H12BrNO5 — CID 107729418

IUPAC4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1cc(Br)ccc1O
InChIInChI=1S/C12H12BrNO5/c13-6-1-2-10(15)7(3-6)11(16)14-9-5-19-4-8(9)12(17)18/h1-3,8-9,15H,4-5H2,(H,14,16)(H,17,18)
InChIKeySVJWPLUQOUSNBW-UHFFFAOYSA-N
MW330.13 g/mol
LogP0.98
Rot. Bonds3

About 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid

4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 107729418) has the molecular formula C12H12BrNO5 and a molecular weight of 330.13 g/mol. Its IUPAC name is 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID107729418
Molecular FormulaC12H12BrNO5
Molecular Weight330.13 g/mol
Exact Mass328.99
IUPAC Name4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1cc(Br)ccc1O
InChIInChI=1S/C12H12BrNO5/c13-6-1-2-10(15)7(3-6)11(16)14-9-5-19-4-8(9)12(17)18/h1-3,8-9,15H,4-5H2,(H,14,16)(H,17,18)
InChIKeySVJWPLUQOUSNBW-UHFFFAOYSA-N
XLogP0.98
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.13
LogP ≤ 50.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(5-bromo-2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223102
4-[(3-bromobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223965
5-bromo-2-hydroxy-N-[(1R,2R)-2-hydroxycyclohexyl]benzamide
CID 104927973
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 107688107
4-[(5-bromopyridine-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66221629
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
4-[(2,5-dibromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66239564
4-[(2,5-difluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66220763
4-[(3-hydroxybenzoyl)amino]oxolane-3-carboxylic acid
CID 66223322
3-[(5-bromo-2-hydroxybenzoyl)amino]cyclohexane-1-carboxylic acid
CID 107729349
4-[(5-bromothiophene-2-carbonyl)amino]oxolane-3-carboxylic acid
CID 66222915
4-[(3-bromophenyl)carbamoylamino]oxolane-3-carboxylic acid
CID 66240934

Frequently Asked Questions

What is the IUPAC name of 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid (CID 107729418) is 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1cc(Br)ccc1O.
What is the InChIKey of 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is SVJWPLUQOUSNBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrNO5/c13-6-1-2-10(15)7(3-6)11(16)14-9-5-19-4-8(9)12(17)18/h1-3,8-9,15H,4-5H2,(H,14,16)(H,17,18).
What are the key properties of 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid?
4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 330.13 g/mol, XLogP of 0.98, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-bromo-2-hydroxybenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107729418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).