2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid

C12H13NO5 — CID 7268809

IUPAC2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)[C@H]2CCCO2)ccc1O
InChIInChI=1S/C12H13NO5/c14-9-4-3-7(6-8(9)12(16)17)13-11(15)10-2-1-5-18-10/h3-4,6,10,14H,1-2,5H2,(H,13,15)(H,16,17)/t10-/m1/s1
InChIKeyCXEZAPIJMHHQAM-SNVBAGLBSA-N
MW251.24 g/mol
LogP1.21
Rot. Bonds3

About 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid

2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid (PubChem CID 7268809) has the molecular formula C12H13NO5 and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
PubChem CID7268809
Molecular FormulaC12H13NO5
Molecular Weight251.24 g/mol
Exact Mass251.08
IUPAC Name2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
SMILESO=C(O)c1cc(NC(=O)[C@H]2CCCO2)ccc1O
InChIInChI=1S/C12H13NO5/c14-9-4-3-7(6-8(9)12(16)17)13-11(15)10-2-1-5-18-10/h3-4,6,10,14H,1-2,5H2,(H,13,15)(H,16,17)/t10-/m1/s1
InChIKeyCXEZAPIJMHHQAM-SNVBAGLBSA-N
XLogP1.21
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic 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

2-hydroxy-4-(oxolane-2-carbonylamino)benzoic acid
CID 16775215
2-methyl-5-(oxolane-2-carbonylamino)benzoic acid
CID 63652254
2-chloro-4-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 113462421
2-methyl-4-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid
CID 104855634
5-acetamido-2-(oxolane-2-carbonylamino)benzoic acid
CID 18071014
(2S)-N-[3-[[(2S)-oxolane-2-carbonyl]amino]phenyl]oxolane-2-carboxamide
CID 7027817
3-[[(2S)-oxolane-2-carbonyl]amino]benzoic acid
CID 839554
5-[[(2S)-oxolane-2-carbonyl]amino]benzene-1,3-dicarboxylic acid
CID 893641
N-phenyloxolane-2-carboxamide
CID 3453643
2-hydroxy-5-[3-(oxolan-2-yl)propanoylamino]benzoic acid
CID 43353096
1-[4-[[(2R)-oxolane-2-carbonyl]amino]phenyl]cyclopropane-1-carboxylic acid
CID 104855967
(2R)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)oxolane-2-carboxamide
CID 757856

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
The IUPAC name of 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid (CID 7268809) is 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid is O=C(O)c1cc(NC(=O)[C@H]2CCCO2)ccc1O.
What is the InChIKey of 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
The InChIKey is CXEZAPIJMHHQAM-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13NO5/c14-9-4-3-7(6-8(9)12(16)17)13-11(15)10-2-1-5-18-10/h3-4,6,10,14H,1-2,5H2,(H,13,15)(H,16,17)/t10-/m1/s1.
What are the key properties of 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid?
2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid has a molecular weight of 251.24 g/mol, XLogP of 1.21, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[[(2R)-oxolane-2-carbonyl]amino]benzoic acid is sourced from PubChem (CID 7268809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).