4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid

C12H13FN2O4 — CID 66240525

IUPAC4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid
SMILESNc1ccc(F)cc1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H13FN2O4/c13-6-1-2-9(14)7(3-6)11(16)15-10-5-19-4-8(10)12(17)18/h1-3,8,10H,4-5,14H2,(H,15,16)(H,17,18)
InChIKeyRLFBDUOHJHZNMX-UHFFFAOYSA-N
MW268.24 g/mol
LogP0.24
Rot. Bonds3

About 4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid

4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid (PubChem CID 66240525) has the molecular formula C12H13FN2O4 and a molecular weight of 268.24 g/mol. Its IUPAC name is 4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid
PubChem CID66240525
Molecular FormulaC12H13FN2O4
Molecular Weight268.24 g/mol
Exact Mass268.09
IUPAC Name4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid
SMILESNc1ccc(F)cc1C(=O)NC1COCC1C(=O)O
InChIInChI=1S/C12H13FN2O4/c13-6-1-2-9(14)7(3-6)11(16)15-10-5-19-4-8(10)12(17)18/h1-3,8,10H,4-5,14H2,(H,15,16)(H,17,18)
InChIKeyRLFBDUOHJHZNMX-UHFFFAOYSA-N
XLogP0.24
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.24
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid (CID 66240525) is 4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid is Nc1ccc(F)cc1C(=O)NC1COCC1C(=O)O.
What is the InChIKey of 4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
The InChIKey is RLFBDUOHJHZNMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4/c13-6-1-2-9(14)7(3-6)11(16)15-10-5-19-4-8(10)12(17)18/h1-3,8,10H,4-5,14H2,(H,15,16)(H,17,18).
What are the key properties of 4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid?
4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid has a molecular weight of 268.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-fluorobenzoyl)amino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66240525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).