2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid

C8H11F2N3O2 — CID 43466883

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid
SMILESCC(NCc1nccn1C(F)F)C(=O)O
InChIInChI=1S/C8H11F2N3O2/c1-5(7(14)15)12-4-6-11-2-3-13(6)8(9)10/h2-3,5,8,12H,4H2,1H3,(H,14,15)
InChIKeyLQSCTPCUEYVXCE-UHFFFAOYSA-N
MW219.19 g/mol
LogP0.84
Rot. Bonds5

About 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid (PubChem CID 43466883) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid
PubChem CID43466883
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid
SMILESCC(NCc1nccn1C(F)F)C(=O)O
InChIInChI=1S/C8H11F2N3O2/c1-5(7(14)15)12-4-6-11-2-3-13(6)8(9)10/h2-3,5,8,12H,4H2,1H3,(H,14,15)
InChIKeyLQSCTPCUEYVXCE-UHFFFAOYSA-N
XLogP0.84
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

(2-Methyl-imidazol-1-yl)-acetic acid
CID 650088
1-isopropyl-1H-imidazole-2-carboxylic acid
CID 55252644
1-Butan-2-ylimidazole-2-carboxylic acid
CID 55254591
1-Ethyl-3-methylimidazolium (S)-2-aminopropionate
CID 55270442
2-(1H-imidazol-1-yl)propanoic acid
CID 16788764
1-(Azetidin-3-yl)imidazole-2-carboxylic acid
CID 84731665
1-(1-Carboxyethyl)imidazole-2-carboxylic acid
CID 150583843
1-(2-Aminoethyl)imidazole-2-carboxylic acid
CID 150662654
1-(3-Aminopropyl)imidazole-2-carboxylic acid
CID 150731188
3-(1H-Imidazol-1-yl)alanine
CID 12311021
2-(1H-imidazol-1-yl)butanoic acid
CID 19961525
2-(1H-imidazol-1-yl)propanoic acid hydrochloride
CID 42917415

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid (CID 43466883) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid is CC(NCc1nccn1C(F)F)C(=O)O.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid?
The InChIKey is LQSCTPCUEYVXCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c1-5(7(14)15)12-4-6-11-2-3-13(6)8(9)10/h2-3,5,8,12H,4H2,1H3,(H,14,15).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid?
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid has a molecular weight of 219.19 g/mol, XLogP of 0.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]propanoic acid is sourced from PubChem (CID 43466883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).