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

C13H15NO5 — CID 81325335

IUPAC5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
SMILESCC1CCC(C(=O)Nc2ccc(O)cc2C(=O)O)O1
InChIInChI=1S/C13H15NO5/c1-7-2-5-11(19-7)12(16)14-10-4-3-8(15)6-9(10)13(17)18/h3-4,6-7,11,15H,2,5H2,1H3,(H,14,16)(H,17,18)
InChIKeyBTLQDEOKPCRUNS-UHFFFAOYSA-N
MW265.27 g/mol
LogP1.60
Rot. Bonds3

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

5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid (PubChem CID 81325335) has the molecular formula C13H15NO5 and a molecular weight of 265.27 g/mol. Its IUPAC name is 5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
PubChem CID81325335
Molecular FormulaC13H15NO5
Molecular Weight265.27 g/mol
Exact Mass265.10
IUPAC Name5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
SMILESCC1CCC(C(=O)Nc2ccc(O)cc2C(=O)O)O1
InChIInChI=1S/C13H15NO5/c1-7-2-5-11(19-7)12(16)14-10-4-3-8(15)6-9(10)13(17)18/h3-4,6-7,11,15H,2,5H2,1H3,(H,14,16)(H,17,18)
InChIKeyBTLQDEOKPCRUNS-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 ≤ 500265.27
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 61406284
N-(3-hydroxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330062
4-bromo-3-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 107812525
N-(4-bromo-2-carbamothioylphenyl)-5-methyloxolane-2-carboxamide
CID 82704113
N-(2-carbamothioyl-4-fluorophenyl)-5-methyloxolane-2-carboxamide
CID 82016133
N-(2-bromo-4-methylphenyl)-5-methyloxolane-2-carboxamide
CID 81004083
N-(4-amino-2-fluorophenyl)-5-methyloxolane-2-carboxamide
CID 81324107
2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
CID 159148469
N-(2-amino-5-methoxyphenyl)-5-methyloxolane-2-carboxamide
CID 81330891
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
N-(6-bromo-2-methyl-3-pyridinyl)-5-methyloxolane-2-carboxamide
CID 103909567
3-methyl-4-[(5-methyloxolane-2-carbonyl)amino]benzenesulfonyl chloride
CID 81330911

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid (CID 81325335) is 5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid is CC1CCC(C(=O)Nc2ccc(O)cc2C(=O)O)O1.
What is the InChIKey of 5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid?
The InChIKey is BTLQDEOKPCRUNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-7-2-5-11(19-7)12(16)14-10-4-3-8(15)6-9(10)13(17)18/h3-4,6-7,11,15H,2,5H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid?
5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid has a molecular weight of 265.27 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 5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 81325335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).