4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid

C11H13FN2O4 — CID 107836100

IUPAC4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid
SMILESNc1ccc(F)cc1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H13FN2O4/c12-6-1-2-8(13)7(5-6)10(16)14-4-3-9(15)11(17)18/h1-2,5,9,15H,3-4,13H2,(H,14,16)(H,17,18)
InChIKeyQZGNKFCIANIGGL-UHFFFAOYSA-N
MW256.23 g/mol
LogP-0.03
Rot. Bonds5

About 4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid

4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid (PubChem CID 107836100) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid
PubChem CID107836100
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid
SMILESNc1ccc(F)cc1C(=O)NCCC(O)C(=O)O
InChIInChI=1S/C11H13FN2O4/c12-6-1-2-8(13)7(5-6)10(16)14-4-3-9(15)11(17)18/h1-2,5,9,15H,3-4,13H2,(H,14,16)(H,17,18)
InChIKeyQZGNKFCIANIGGL-UHFFFAOYSA-N
XLogP-0.03
TPSA112.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 5-0.03
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2-amino-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107836086
4-[(4-fluoro-2-nitrobenzoyl)amino]-2-hydroxybutanoic acid
CID 107832365
8-[(2-amino-5-fluorobenzoyl)amino]octanoic acid
CID 54514696
(2S)-4-[(5-amino-2-bromobenzoyl)amino]-2-hydroxybutanoic acid
CID 114006881
2-amino-4-fluoro-N-(3-hydroxybutyl)benzamide
CID 64913148
4-[(5-fluoro-2-methylbenzoyl)amino]-2-methylbutanoic acid
CID 80538483
2-amino-5-fluoro-N-(2-pyrrol-1-ylethyl)benzamide
CID 106391087
4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 107832609
2-amino-5-fluoro-N-(3-formamidopropyl)benzamide
CID 82547187
2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61244237
(2S)-4-[(2-fluoro-5-methylbenzoyl)amino]-2-hydroxybutanoic acid
CID 114006664
4-[(3-fluoro-5-nitrobenzoyl)amino]-2-hydroxybutanoic acid
CID 107831940

Frequently Asked Questions

What is the IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid?
The IUPAC name of 4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid (CID 107836100) is 4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid.
What is the SMILES notation for 4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid?
The canonical SMILES for 4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid is Nc1ccc(F)cc1C(=O)NCCC(O)C(=O)O.
What is the InChIKey of 4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid?
The InChIKey is QZGNKFCIANIGGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c12-6-1-2-8(13)7(5-6)10(16)14-4-3-9(15)11(17)18/h1-2,5,9,15H,3-4,13H2,(H,14,16)(H,17,18).
What are the key properties of 4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid?
4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid has a molecular weight of 256.23 g/mol, XLogP of -0.03, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107836100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).