2-(2-carbamoyl-3-fluoroanilino)acetic acid

C9H9FN2O3 — CID 79513816

IUPAC2-(2-carbamoyl-3-fluoroanilino)acetic acid
SMILESNC(=O)c1c(F)cccc1NCC(=O)O
InChIInChI=1S/C9H9FN2O3/c10-5-2-1-3-6(8(5)9(11)15)12-4-7(13)14/h1-3,12H,4H2,(H2,11,15)(H,13,14)
InChIKeyUNOJDKVARHRICV-UHFFFAOYSA-N
MW212.18 g/mol
LogP0.42
Rot. Bonds4

About 2-(2-carbamoyl-3-fluoroanilino)acetic acid

2-(2-carbamoyl-3-fluoroanilino)acetic acid (PubChem CID 79513816) has the molecular formula C9H9FN2O3 and a molecular weight of 212.18 g/mol. Its IUPAC name is 2-(2-carbamoyl-3-fluoroanilino)acetic acid.

Molecular Properties

Compound Name2-(2-carbamoyl-3-fluoroanilino)acetic acid
PubChem CID79513816
Molecular FormulaC9H9FN2O3
Molecular Weight212.18 g/mol
Exact Mass212.06
IUPAC Name2-(2-carbamoyl-3-fluoroanilino)acetic acid
SMILESNC(=O)c1c(F)cccc1NCC(=O)O
InChIInChI=1S/C9H9FN2O3/c10-5-2-1-3-6(8(5)9(11)15)12-4-7(13)14/h1-3,12H,4H2,(H2,11,15)(H,13,14)
InChIKeyUNOJDKVARHRICV-UHFFFAOYSA-N
XLogP0.42
TPSA92.42 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.18
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-(2-carbamoyl-3-fluoroanilino)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-carbamoyl-3-fluoroanilino)acetic acid?
The IUPAC name of 2-(2-carbamoyl-3-fluoroanilino)acetic acid (CID 79513816) is 2-(2-carbamoyl-3-fluoroanilino)acetic acid.
What is the SMILES notation for 2-(2-carbamoyl-3-fluoroanilino)acetic acid?
The canonical SMILES for 2-(2-carbamoyl-3-fluoroanilino)acetic acid is NC(=O)c1c(F)cccc1NCC(=O)O.
What is the InChIKey of 2-(2-carbamoyl-3-fluoroanilino)acetic acid?
The InChIKey is UNOJDKVARHRICV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O3/c10-5-2-1-3-6(8(5)9(11)15)12-4-7(13)14/h1-3,12H,4H2,(H2,11,15)(H,13,14).
What are the key properties of 2-(2-carbamoyl-3-fluoroanilino)acetic acid?
2-(2-carbamoyl-3-fluoroanilino)acetic acid has a molecular weight of 212.18 g/mol, XLogP of 0.42, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-carbamoyl-3-fluoroanilino)acetic acid is sourced from PubChem (CID 79513816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).