4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid

C12H13NO6 — CID 107688107

IUPAC4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1c(O)cccc1O
InChIInChI=1S/C12H13NO6/c14-8-2-1-3-9(15)10(8)11(16)13-7-5-19-4-6(7)12(17)18/h1-3,6-7,14-15H,4-5H2,(H,13,16)(H,17,18)
InChIKeyOIFJONZCQZOLTB-UHFFFAOYSA-N
MW267.24 g/mol
LogP-0.07
Rot. Bonds3

About 4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid

4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 107688107) has the molecular formula C12H13NO6 and a molecular weight of 267.24 g/mol. Its IUPAC name is 4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID107688107
Molecular FormulaC12H13NO6
Molecular Weight267.24 g/mol
Exact Mass267.07
IUPAC Name4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid
SMILESO=C(NC1COCC1C(=O)O)c1c(O)cccc1O
InChIInChI=1S/C12H13NO6/c14-8-2-1-3-9(15)10(8)11(16)13-7-5-19-4-6(7)12(17)18/h1-3,6-7,14-15H,4-5H2,(H,13,16)(H,17,18)
InChIKeyOIFJONZCQZOLTB-UHFFFAOYSA-N
XLogP-0.07
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid (CID 107688107) is 4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid is O=C(NC1COCC1C(=O)O)c1c(O)cccc1O.
What is the InChIKey of 4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is OIFJONZCQZOLTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO6/c14-8-2-1-3-9(15)10(8)11(16)13-7-5-19-4-6(7)12(17)18/h1-3,6-7,14-15H,4-5H2,(H,13,16)(H,17,18).
What are the key properties of 4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid?
4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 267.24 g/mol, XLogP of -0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-dihydroxybenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 107688107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).