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

C13H15FN2O4 — CID 66237228

IUPAC4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1cc(F)ccc1N)C1COCC1C(=O)O
InChIInChI=1S/C13H15FN2O4/c1-16(11-6-20-5-9(11)13(18)19)12(17)8-4-7(14)2-3-10(8)15/h2-4,9,11H,5-6,15H2,1H3,(H,18,19)
InChIKeyYWVFVESMRNWNOR-UHFFFAOYSA-N
MW282.27 g/mol
LogP0.58
Rot. Bonds3

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

4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid (PubChem CID 66237228) has the molecular formula C13H15FN2O4 and a molecular weight of 282.27 g/mol. Its IUPAC name is 4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid
PubChem CID66237228
Molecular FormulaC13H15FN2O4
Molecular Weight282.27 g/mol
Exact Mass282.10
IUPAC Name4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid
SMILESCN(C(=O)c1cc(F)ccc1N)C1COCC1C(=O)O
InChIInChI=1S/C13H15FN2O4/c1-16(11-6-20-5-9(11)13(18)19)12(17)8-4-7(14)2-3-10(8)15/h2-4,9,11H,5-6,15H2,1H3,(H,18,19)
InChIKeyYWVFVESMRNWNOR-UHFFFAOYSA-N
XLogP0.58
TPSA92.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.27
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Ethyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate
CID 54960072
Ethyl 3-[(2-amino-6-fluorobenzoyl)amino]propanoate
CID 58906371
Methyl 2-[(2-amino-5-fluorobenzoyl)amino]propanoate
CID 60780374
Ethyl 2-[(2-amino-5-fluorobenzoyl)amino]acetate
CID 60876205
2-[(2-Amino-5-fluorobenzoyl)amino]propanoic acid
CID 61156986
Ethyl 2-[(2-amino-4-fluorobenzoyl)amino]acetate
CID 63110206
(R)-2-(2-amino-5-fluorobenzoylamino)propionic acid
CID 69298290
ditert-butyl (2S)-2-[(2-amino-4-fluorobenzoyl)amino]butanedioate
CID 69432085
methyl (2S)-2-[(2-amino-4-fluorobenzoyl)amino]-3-[(2-methylpropan-2-yl)oxy]butanoate
CID 69432169
Methyl N-[(2-amino-4-fluorophenyl)carbonyl]-O-(1,1-dimethylethyl)-L-threoninate
CID 69432172
2-[(2-Amino-6-fluorobenzoyl)-methylamino]acetic acid
CID 70414829
ethyl (R)-2-(2-amino-5-fluorobenzoylamino)propionate
CID 86621164

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid (CID 66237228) is 4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid is CN(C(=O)c1cc(F)ccc1N)C1COCC1C(=O)O.
What is the InChIKey of 4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid?
The InChIKey is YWVFVESMRNWNOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O4/c1-16(11-6-20-5-9(11)13(18)19)12(17)8-4-7(14)2-3-10(8)15/h2-4,9,11H,5-6,15H2,1H3,(H,18,19).
What are the key properties of 4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid?
4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid has a molecular weight of 282.27 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-fluorobenzoyl)-methylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66237228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).