2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid

C10H13FN2O2 — CID 103590283

IUPAC2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid
SMILESCc1cc(N(C)CC(=O)O)c(N)cc1F
InChIInChI=1S/C10H13FN2O2/c1-6-3-9(8(12)4-7(6)11)13(2)5-10(14)15/h3-4H,5,12H2,1-2H3,(H,14,15)
InChIKeyWKABUALKEQNUCQ-UHFFFAOYSA-N
MW212.22 g/mol
LogP1.24
Rot. Bonds3

About 2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid

2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid (PubChem CID 103590283) has the molecular formula C10H13FN2O2 and a molecular weight of 212.22 g/mol. Its IUPAC name is 2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid.

Molecular Properties

Compound Name2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid
PubChem CID103590283
Molecular FormulaC10H13FN2O2
Molecular Weight212.22 g/mol
Exact Mass212.10
IUPAC Name2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid
SMILESCc1cc(N(C)CC(=O)O)c(N)cc1F
InChIInChI=1S/C10H13FN2O2/c1-6-3-9(8(12)4-7(6)11)13(2)5-10(14)15/h3-4H,5,12H2,1-2H3,(H,14,15)
InChIKeyWKABUALKEQNUCQ-UHFFFAOYSA-N
XLogP1.24
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 51.24
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-4-fluoro-N,5-dimethylanilino)acetic acid?
The IUPAC name of 2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid (CID 103590283) is 2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid.
What is the SMILES notation for 2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid?
The canonical SMILES for 2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid is Cc1cc(N(C)CC(=O)O)c(N)cc1F.
What is the InChIKey of 2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid?
The InChIKey is WKABUALKEQNUCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2O2/c1-6-3-9(8(12)4-7(6)11)13(2)5-10(14)15/h3-4H,5,12H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid?
2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid has a molecular weight of 212.22 g/mol, XLogP of 1.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-fluoro-N,5-dimethylanilino)acetic acid is sourced from PubChem (CID 103590283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).