4-amino-2-hydroxybenzoic acid;oxolane

C11H15NO4 — CID 174957133

IUPAC4-amino-2-hydroxybenzoic acid;oxolane
SMILESC1CCOC1.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H7NO3.C4H8O/c8-4-1-2-5(7(10)11)6(9)3-4;1-2-4-5-3-1/h1-3,9H,8H2,(H,10,11);1-4H2
InChIKeyGMLXAKBGEDQXNW-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.47
Rot. Bonds1

About 4-amino-2-hydroxybenzoic acid;oxolane

4-amino-2-hydroxybenzoic acid;oxolane (PubChem CID 174957133) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 4-amino-2-hydroxybenzoic acid;oxolane.

Molecular Properties

Compound Name4-amino-2-hydroxybenzoic acid;oxolane
PubChem CID174957133
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name4-amino-2-hydroxybenzoic acid;oxolane
SMILESC1CCOC1.Nc1ccc(C(=O)O)c(O)c1
InChIInChI=1S/C7H7NO3.C4H8O/c8-4-1-2-5(7(10)11)6(9)3-4;1-2-4-5-3-1/h1-3,9H,8H2,(H,10,11);1-4H2
InChIKeyGMLXAKBGEDQXNW-UHFFFAOYSA-N
XLogP1.47
TPSA92.78 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-hydroxybenzoic acid;dihydrochloride
CID 140557780
lithium;4-amino-2-hydroxybenzoic acid;hydride
CID 173041117
4-amino-2-hydroxybenzoic acid;carbamic acid
CID 67980024
CID 131855870
CID 131855870
sodium;bis(4-amino-2-hydroxybenzoic acid);oxovanadium
CID 54604130
bis(4-amino-2-hydroxybenzoic acid);4-pyridin-4-ylpyridine
CID 139146382
bis(4-aminobenzoic acid);oxolane
CID 66588912
4-(4-amino-2-hydroxybenzoyl)oxy-2-hydroxybenzoic acid
CID 57080181
4-amino-2-(1,4-oxazepan-4-ylsulfonyl)benzoic acid
CID 102931217
2,4-dihydroxybenzoic acid
CID 1491
4-amino-2-(morpholin-4-ylamino)benzoic acid
CID 83023674
4-amino-2-(4-amino-2-hydroxybenzoyl)oxybenzoic acid
CID 54364627

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-hydroxybenzoic acid;oxolane?
The IUPAC name of 4-amino-2-hydroxybenzoic acid;oxolane (CID 174957133) is 4-amino-2-hydroxybenzoic acid;oxolane.
What is the SMILES notation for 4-amino-2-hydroxybenzoic acid;oxolane?
The canonical SMILES for 4-amino-2-hydroxybenzoic acid;oxolane is C1CCOC1.Nc1ccc(C(=O)O)c(O)c1.
What is the InChIKey of 4-amino-2-hydroxybenzoic acid;oxolane?
The InChIKey is GMLXAKBGEDQXNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3.C4H8O/c8-4-1-2-5(7(10)11)6(9)3-4;1-2-4-5-3-1/h1-3,9H,8H2,(H,10,11);1-4H2.
What are the key properties of 4-amino-2-hydroxybenzoic acid;oxolane?
4-amino-2-hydroxybenzoic acid;oxolane has a molecular weight of 225.24 g/mol, XLogP of 1.47, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-hydroxybenzoic acid;oxolane is sourced from PubChem (CID 174957133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).