5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid

C12H13NO4 — CID 61406284

IUPAC5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
SMILESCC1CC1C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C12H13NO4/c1-6-4-8(6)11(15)13-10-3-2-7(14)5-9(10)12(16)17/h2-3,5-6,8,14H,4H2,1H3,(H,13,15)(H,16,17)
InChIKeyBHZPOOYYLBMKPT-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.68
Rot. Bonds3

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

5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid (PubChem CID 61406284) has the molecular formula C12H13NO4 and a molecular weight of 235.24 g/mol. Its IUPAC name is 5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
PubChem CID61406284
Molecular FormulaC12H13NO4
Molecular Weight235.24 g/mol
Exact Mass235.08
IUPAC Name5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
SMILESCC1CC1C(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C12H13NO4/c1-6-4-8(6)11(15)13-10-3-2-7(14)5-9(10)12(16)17/h2-3,5-6,8,14H,4H2,1H3,(H,13,15)(H,16,17)
InChIKeyBHZPOOYYLBMKPT-UHFFFAOYSA-N
XLogP1.68
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-[(5-methyloxolane-2-carbonyl)amino]benzoic acid
CID 81325335
2-amino-5-hydroxybenzoic acid;2-(cyclopropanecarbonylamino)-5-hydroxybenzoic acid
CID 159148469
5-iodo-2-[(4-methylpyrrolidine-3-carbonyl)amino]benzoic acid
CID 63714017
5-hydroxy-2-[(2-methylcyclopentyl)carbamoylamino]benzoic acid
CID 63279157
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
2-(2-cyclopropylpropanoylamino)-5-hydroxybenzoic acid
CID 83146824
4-chloro-3-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 24688502
N-(2-amino-4-methylphenyl)-2-methylcyclopropane-1-carboxamide
CID 43259106
N-(5-fluoro-2-hydroxyphenyl)-2-methylcyclopropane-1-carboxamide
CID 71979004
5-chloro-2-methoxy-4-[(2-methylcyclopropanecarbonyl)amino]benzoic acid
CID 43406220
2-(1-cyclopropylethylcarbamoylamino)-5-hydroxybenzoic acid
CID 61405929
5-methoxy-2-[(2-methyloxolane-3-carbonyl)amino]benzoic acid
CID 115410893

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
The IUPAC name of 5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid (CID 61406284) is 5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid.
What is the SMILES notation for 5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
The canonical SMILES for 5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid is CC1CC1C(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
The InChIKey is BHZPOOYYLBMKPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO4/c1-6-4-8(6)11(15)13-10-3-2-7(14)5-9(10)12(16)17/h2-3,5-6,8,14H,4H2,1H3,(H,13,15)(H,16,17).
What are the key properties of 5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid?
5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid has a molecular weight of 235.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]benzoic acid is sourced from PubChem (CID 61406284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).