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

C11H13FN2O4 — CID 61244237

IUPAC2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESNc1ccc(F)cc1C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C11H13FN2O4/c12-6-1-2-8(13)7(5-6)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4,13H2,(H,14,16)(H,17,18)
InChIKeyNRGGWGAVQKDRDV-UHFFFAOYSA-N
MW256.23 g/mol
LogP-0.03
Rot. Bonds5

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

2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid (PubChem CID 61244237) has the molecular formula C11H13FN2O4 and a molecular weight of 256.23 g/mol. Its IUPAC name is 2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid.

Molecular Properties

Compound Name2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
PubChem CID61244237
Molecular FormulaC11H13FN2O4
Molecular Weight256.23 g/mol
Exact Mass256.09
IUPAC Name2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
SMILESNc1ccc(F)cc1C(=O)NC(CCO)C(=O)O
InChIInChI=1S/C11H13FN2O4/c12-6-1-2-8(13)7(5-6)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4,13H2,(H,14,16)(H,17,18)
InChIKeyNRGGWGAVQKDRDV-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'}

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

(2S)-2-[(2-bromo-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 107821847
2-[(5-fluoro-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 63048236
(2R)-2-[(2-chloro-4-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 114005057
2-[(2-fluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61242891
(2R)-2-[(2-amino-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 103927182
2-[(2-amino-5-fluorobenzoyl)amino]-3,3-dimethylbutanoic acid
CID 61160435
2-[(3,5-difluorobenzoyl)amino]-4-hydroxybutanoic acid
CID 61243994
(2S)-4-hydroxy-2-[(2,3,4-trifluorobenzoyl)amino]butanoic acid
CID 107822093
(2R)-2-[(4-amino-3-chlorobenzoyl)amino]-4-hydroxybutanoic acid
CID 107825070
(2S)-2-[(3-amino-2-methylbenzoyl)amino]-4-hydroxybutanoic acid
CID 107824809
4-[(2-amino-5-fluorobenzoyl)amino]-2-hydroxybutanoic acid
CID 107836100
(2R)-2-[[2-(2,4-difluorophenyl)acetyl]amino]-4-hydroxybutanoic acid
CID 107823047

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
The IUPAC name of 2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid (CID 61244237) is 2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid.
What is the SMILES notation for 2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
The canonical SMILES for 2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid is Nc1ccc(F)cc1C(=O)NC(CCO)C(=O)O.
What is the InChIKey of 2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
The InChIKey is NRGGWGAVQKDRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O4/c12-6-1-2-8(13)7(5-6)10(16)14-9(3-4-15)11(17)18/h1-2,5,9,15H,3-4,13H2,(H,14,16)(H,17,18).
What are the key properties of 2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid?
2-[(2-amino-5-fluorobenzoyl)amino]-4-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 2-[(2-amino-5-fluorobenzoyl)amino]-4-hydroxybutanoic acid is sourced from PubChem (CID 61244237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).