(2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid

C11H11NO5 — CID 56987142

IUPAC(2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2[C@]1(O)C(=O)NO
InChIInChI=1S/C11H11NO5/c13-9(14)8-5-6-3-1-2-4-7(6)11(8,16)10(15)12-17/h1-4,8,16-17H,5H2,(H,12,15)(H,13,14)/t8-,11+/m0/s1
InChIKeyLTBSPZNWMRURID-GZMMTYOYSA-N
MW237.21 g/mol
LogP-0.36
Rot. Bonds2

About (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid

(2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid (PubChem CID 56987142) has the molecular formula C11H11NO5 and a molecular weight of 237.21 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid
PubChem CID56987142
Molecular FormulaC11H11NO5
Molecular Weight237.21 g/mol
Exact Mass237.06
IUPAC Name(2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid
SMILESO=C(O)[C@@H]1Cc2ccccc2[C@]1(O)C(=O)NO
InChIInChI=1S/C11H11NO5/c13-9(14)8-5-6-3-1-2-4-7(6)11(8,16)10(15)12-17/h1-4,8,16-17H,5H2,(H,12,15)(H,13,14)/t8-,11+/m0/s1
InChIKeyLTBSPZNWMRURID-GZMMTYOYSA-N
XLogP-0.36
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.21
LogP ≤ 5-0.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid?
The IUPAC name of (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid (CID 56987142) is (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid.
What is the SMILES notation for (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid?
The canonical SMILES for (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid is O=C(O)[C@@H]1Cc2ccccc2[C@]1(O)C(=O)NO.
What is the InChIKey of (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid?
The InChIKey is LTBSPZNWMRURID-GZMMTYOYSA-N. The full InChI is InChI=1S/C11H11NO5/c13-9(14)8-5-6-3-1-2-4-7(6)11(8,16)10(15)12-17/h1-4,8,16-17H,5H2,(H,12,15)(H,13,14)/t8-,11+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid?
(2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid has a molecular weight of 237.21 g/mol, XLogP of -0.36, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-3-(hydroxycarbamoyl)-1,2-dihydroindene-2-carboxylic acid is sourced from PubChem (CID 56987142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).