2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid

C10H11FN2O3 — CID 70414829

IUPAC2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1c(N)cccc1F
InChIInChI=1S/C10H11FN2O3/c1-13(5-8(14)15)10(16)9-6(11)3-2-4-7(9)12/h2-4H,5,12H2,1H3,(H,14,15)
InChIKeyVWNMNXWYGRHGET-UHFFFAOYSA-N
MW226.21 g/mol
LogP0.56
Rot. Bonds3

About 2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid

2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid (PubChem CID 70414829) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid.

Molecular Properties

Compound Name2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid
PubChem CID70414829
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid
SMILESCN(CC(=O)O)C(=O)c1c(N)cccc1F
InChIInChI=1S/C10H11FN2O3/c1-13(5-8(14)15)10(16)9-6(11)3-2-4-7(9)12/h2-4H,5,12H2,1H3,(H,14,15)
InChIKeyVWNMNXWYGRHGET-UHFFFAOYSA-N
XLogP0.56
TPSA83.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid?
The IUPAC name of 2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid (CID 70414829) is 2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid.
What is the SMILES notation for 2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid?
The canonical SMILES for 2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid is CN(CC(=O)O)C(=O)c1c(N)cccc1F.
What is the InChIKey of 2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid?
The InChIKey is VWNMNXWYGRHGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c1-13(5-8(14)15)10(16)9-6(11)3-2-4-7(9)12/h2-4H,5,12H2,1H3,(H,14,15).
What are the key properties of 2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid?
2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid has a molecular weight of 226.21 g/mol, XLogP of 0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-6-fluorobenzoyl)-methylamino]acetic acid is sourced from PubChem (CID 70414829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).