2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid

C10H13FN2O2 — CID 80696045

IUPAC2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
SMILESNc1ccccc1N(CCF)CC(=O)O
InChIInChI=1S/C10H13FN2O2/c11-5-6-13(7-10(14)15)9-4-2-1-3-8(9)12/h1-4H,5-7,12H2,(H,14,15)
InChIKeyXCRUNEHGRIKKHC-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.13
Rot. Bonds5

About 2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid

2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid (PubChem CID 80696045) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid.

Molecular Properties

Compound Name2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
PubChem CID80696045
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid
SMILESNc1ccccc1N(CCF)CC(=O)O
InChIInChI=1S/C10H13FN2O2/c11-5-6-13(7-10(14)15)9-4-2-1-3-8(9)12/h1-4H,5-7,12H2,(H,14,15)
InChIKeyXCRUNEHGRIKKHC-UHFFFAOYSA-N
XLogP1.13
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.13
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-N-(2-fluoroethyl)anilino]acetic acid?
The IUPAC name of 2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid (CID 80696045) is 2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid.
What is the SMILES notation for 2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid?
The canonical SMILES for 2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid is Nc1ccccc1N(CCF)CC(=O)O.
What is the InChIKey of 2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid?
The InChIKey is XCRUNEHGRIKKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c11-5-6-13(7-10(14)15)9-4-2-1-3-8(9)12/h1-4H,5-7,12H2,(H,14,15).
What are the key properties of 2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid?
2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid has a molecular weight of 212.22 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-amino-N-(2-fluoroethyl)anilino]acetic acid is sourced from PubChem (CID 80696045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).