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

C13H15FN2O4 — CID 66248160

IUPAC4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H15FN2O4/c1-13(12(18)19)6-20-5-10(13)16-11(17)8-4-7(14)2-3-9(8)15/h2-4,10H,5-6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyLPBAZMBBKRSRTG-UHFFFAOYSA-N
MW282.27 g/mol
LogP0.63
Rot. Bonds3

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

4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid (PubChem CID 66248160) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid
PubChem CID66248160
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid
SMILESCC1(C(=O)O)COCC1NC(=O)c1cc(F)ccc1N
InChIInChI=1S/C13H15FN2O4/c1-13(12(18)19)6-20-5-10(13)16-11(17)8-4-7(14)2-3-9(8)15/h2-4,10H,5-6,15H2,1H3,(H,16,17)(H,18,19)
InChIKeyLPBAZMBBKRSRTG-UHFFFAOYSA-N
XLogP0.63
TPSA101.65 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.63
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]-3-methyloxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid (CID 66248160) is 4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid is CC1(C(=O)O)COCC1NC(=O)c1cc(F)ccc1N.
What is the InChIKey of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
The InChIKey is LPBAZMBBKRSRTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-13(12(18)19)6-20-5-10(13)16-11(17)8-4-7(14)2-3-9(8)15/h2-4,10H,5-6,15H2,1H3,(H,16,17)(H,18,19).
What are the key properties of 4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid?
4-[(2-amino-5-fluorobenzoyl)amino]-3-methyloxolane-3-carboxylic acid has a molecular weight of 282.27 g/mol, XLogP of 0.63, 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]-3-methyloxolane-3-carboxylic acid is sourced from PubChem (CID 66248160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).