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

C13H15NO5 — CID 113458398

IUPAC2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
SMILESCC1CCOC1C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C13H15NO5/c1-7-5-6-19-11(7)12(16)14-9-4-2-3-8(10(9)15)13(17)18/h2-4,7,11,15H,5-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyRNGDOQOBQLEGKW-UHFFFAOYSA-N
MW265.26 g/mol
LogP1.45
Rot. Bonds3

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

2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid (PubChem CID 113458398) has the molecular formula C13H15NO5 and a molecular weight of 265.26 g/mol. Its IUPAC name is 2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
PubChem CID113458398
Molecular FormulaC13H15NO5
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
SMILESCC1CCOC1C(=O)Nc1cccc(C(=O)O)c1O
InChIInChI=1S/C13H15NO5/c1-7-5-6-19-11(7)12(16)14-9-4-2-3-8(10(9)15)13(17)18/h2-4,7,11,15H,5-6H2,1H3,(H,14,16)(H,17,18)
InChIKeyRNGDOQOBQLEGKW-UHFFFAOYSA-N
XLogP1.45
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 ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-(cyclopropanecarbonylamino)-2-hydroxybenzoic acid
CID 104832805
N-(2-cyanophenyl)-3-methyloxolane-2-carboxamide
CID 81468862
N-(2-acetyl-3-methylphenyl)-3-methyloxolane-2-carboxamide
CID 91650588
4-methoxy-2-[(3-methyloxolane-2-carbonyl)amino]benzoic acid
CID 115411107
N-(2-bromo-3-pyridinyl)-3-methyloxolane-2-carboxamide
CID 103819174
N-(2-hydroxy-4-methylphenyl)-3-methyloxolane-2-carboxamide
CID 81426078
2-hydroxy-3-[(2-methylmorpholine-4-carbonyl)amino]benzoic acid
CID 104833442
(2R,3R)-N-(3-acetamidophenyl)-3-methyloxolane-2-carboxamide
CID 124591887
2-hydroxy-3-[[(2S)-5-oxopyrrolidine-2-carbonyl]amino]benzoic acid
CID 114039518
N-(2-acetyl-5-fluorophenyl)-3-methyloxolane-2-carboxamide
CID 75503564
N-(4-bromo-2,5-difluorophenyl)-3-methyloxolane-2-carboxamide
CID 103842465
2-hydroxy-3-(prop-2-ynoylamino)benzoic acid
CID 104832869

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid?
The IUPAC name of 2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid (CID 113458398) is 2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid.
What is the SMILES notation for 2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid?
The canonical SMILES for 2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid is CC1CCOC1C(=O)Nc1cccc(C(=O)O)c1O.
What is the InChIKey of 2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid?
The InChIKey is RNGDOQOBQLEGKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO5/c1-7-5-6-19-11(7)12(16)14-9-4-2-3-8(10(9)15)13(17)18/h2-4,7,11,15H,5-6H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid?
2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid has a molecular weight of 265.26 g/mol, XLogP of 1.45, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-[(3-methyloxolane-2-carbonyl)amino]benzoic acid is sourced from PubChem (CID 113458398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).