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

C11H11FN2O5 — CID 107794503

IUPAC2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid
SMILESNc1ccc(C(=O)N(CC(=O)O)CC(=O)O)c(F)c1
InChIInChI=1S/C11H11FN2O5/c12-8-3-6(13)1-2-7(8)11(19)14(4-9(15)16)5-10(17)18/h1-3H,4-5,13H2,(H,15,16)(H,17,18)
InChIKeyYCVZNZBRBWBDLA-UHFFFAOYSA-N
MW270.22 g/mol
LogP0.02
Rot. Bonds5

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

2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid (PubChem CID 107794503) has the molecular formula C11H11FN2O5 and a molecular weight of 270.22 g/mol. Its IUPAC name is 2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid
PubChem CID107794503
Molecular FormulaC11H11FN2O5
Molecular Weight270.22 g/mol
Exact Mass270.07
IUPAC Name2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid
SMILESNc1ccc(C(=O)N(CC(=O)O)CC(=O)O)c(F)c1
InChIInChI=1S/C11H11FN2O5/c12-8-3-6(13)1-2-7(8)11(19)14(4-9(15)16)5-10(17)18/h1-3H,4-5,13H2,(H,15,16)(H,17,18)
InChIKeyYCVZNZBRBWBDLA-UHFFFAOYSA-N
XLogP0.02
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.22
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4-amino-2-fluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 103869280
2-[(4-amino-2-fluorobenzoyl)-butan-2-ylamino]acetic acid
CID 107794261
2-[(4-amino-2-fluorobenzoyl)-tert-butylamino]acetic acid
CID 107794622
2-[cyclopropylmethyl-(2,4-difluorobenzoyl)amino]acetic acid
CID 43655083
2-[(2-fluoro-4-hydroxybenzoyl)-propylamino]acetic acid
CID 107674770
2-[(2,4-difluorobenzoyl)-(2-methylpropyl)amino]acetic acid
CID 62034804
2-[(2,4-difluorobenzoyl)-prop-2-enylamino]acetic acid
CID 79263026
2-[(4-amino-2-fluorobenzoyl)-methylamino]butanoic acid
CID 103871049
2-[(2-amino-2-oxoethyl)-(2,5-difluorobenzoyl)amino]acetic acid
CID 107433914
2-[[2-[(4-amino-2-fluorobenzoyl)amino]acetyl]amino]acetic acid
CID 103870021
1-(4-amino-2-fluorophenyl)ethanone
CID 14621110
4-amino-2-fluorobenzohydrazide;formic acid
CID 175317690

Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid?
The IUPAC name of 2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid (CID 107794503) is 2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid.
What is the SMILES notation for 2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid?
The canonical SMILES for 2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid is Nc1ccc(C(=O)N(CC(=O)O)CC(=O)O)c(F)c1.
What is the InChIKey of 2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid?
The InChIKey is YCVZNZBRBWBDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O5/c12-8-3-6(13)1-2-7(8)11(19)14(4-9(15)16)5-10(17)18/h1-3H,4-5,13H2,(H,15,16)(H,17,18).
What are the key properties of 2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid?
2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid has a molecular weight of 270.22 g/mol, XLogP of 0.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-2-fluorobenzoyl)-(carboxymethyl)amino]acetic acid is sourced from PubChem (CID 107794503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).