2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid

C11H12FN3O4 — CID 103870021

IUPAC2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid
SMILESNc1ccc(C(=O)NCC(=O)NCC(=O)O)c(F)c1
InChIInChI=1S/C11H12FN3O4/c12-8-3-6(13)1-2-7(8)11(19)15-4-9(16)14-5-10(17)18/h1-3H,4-5,13H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyPQZSRIDLPKFJSG-UHFFFAOYSA-N
MW269.23 g/mol
LogP-0.66
Rot. Bonds5

About 2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid

2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid (PubChem CID 103870021) has the molecular formula C11H12FN3O4 and a molecular weight of 269.23 g/mol. Its IUPAC name is 2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid
PubChem CID103870021
Molecular FormulaC11H12FN3O4
Molecular Weight269.23 g/mol
Exact Mass269.08
IUPAC Name2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid
SMILESNc1ccc(C(=O)NCC(=O)NCC(=O)O)c(F)c1
InChIInChI=1S/C11H12FN3O4/c12-8-3-6(13)1-2-7(8)11(19)15-4-9(16)14-5-10(17)18/h1-3H,4-5,13H2,(H,14,16)(H,15,19)(H,17,18)
InChIKeyPQZSRIDLPKFJSG-UHFFFAOYSA-N
XLogP-0.66
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.23
LogP ≤ 5-0.66
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

2-[(5-amino-2-chlorobenzoyl)amino]acetic acid
CID 50851078
4-[(4-amino-2-fluorobenzoyl)amino]-3-methylbutanoic acid
CID 113342355
2-[(4-amino-2-methoxybenzoyl)amino]acetic acid
CID 107207731
4-amino-2-fluoro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65104066
1-[[(4-amino-2-fluorobenzoyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 107794783
4-amino-N-[3-(ethylamino)-3-oxopropyl]-2-fluorobenzamide
CID 113409457
2-[[2-[(3,5-difluorobenzoyl)amino]acetyl]amino]acetic acid
CID 43387598
2-[[2-[(3-bromo-4-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 114019599
2-[(4-amino-2-fluorobenzoyl)amino]butanedioic acid
CID 107794763
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
4-amino-2-fluorobenzohydrazide;formic acid
CID 175317690
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid?
The IUPAC name of 2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid (CID 103870021) is 2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid.
What is the SMILES notation for 2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid?
The canonical SMILES for 2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid is Nc1ccc(C(=O)NCC(=O)NCC(=O)O)c(F)c1.
What is the InChIKey of 2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid?
The InChIKey is PQZSRIDLPKFJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O4/c12-8-3-6(13)1-2-7(8)11(19)15-4-9(16)14-5-10(17)18/h1-3H,4-5,13H2,(H,14,16)(H,15,19)(H,17,18).
What are the key properties of 2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid?
2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid has a molecular weight of 269.23 g/mol, XLogP of -0.66, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid is sourced from PubChem (CID 103870021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).