2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid

C13H15NO5 — CID 113458391

IUPAC2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2cccc(C(=O)O)c2O)CCCO1
InChIInChI=1S/C13H15NO5/c1-13(6-3-7-19-13)12(18)14-9-5-2-4-8(10(9)15)11(16)17/h2,4-5,15H,3,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyHUJCRWJONNLRBU-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.60
Rot. Bonds3

About 2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid

2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid (PubChem CID 113458391) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid
PubChem CID113458391
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid
SMILESCC1(C(=O)Nc2cccc(C(=O)O)c2O)CCCO1
InChIInChI=1S/C13H15NO5/c1-13(6-3-7-19-13)12(18)14-9-5-2-4-8(10(9)15)11(16)17/h2,4-5,15H,3,6-7H2,1H3,(H,14,18)(H,16,17)
InChIKeyHUJCRWJONNLRBU-UHFFFAOYSA-N
XLogP1.60
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid (CID 113458391) is 2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid is CC1(C(=O)Nc2cccc(C(=O)O)c2O)CCCO1.
What is the InChIKey of 2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid?
The InChIKey is HUJCRWJONNLRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-13(6-3-7-19-13)12(18)14-9-5-2-4-8(10(9)15)11(16)17/h2,4-5,15H,3,6-7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid?
2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(2-methyloxolane-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 113458391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).