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

C7H9F2N3O2 — CID 43465824

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1nccn1C(F)F
InChIInChI=1S/C7H9F2N3O2/c8-7(9)12-2-1-11-5(12)3-10-4-6(13)14/h1-2,7,10H,3-4H2,(H,13,14)
InChIKeyGZNACVLCDGABLL-UHFFFAOYSA-N
MW205.16 g/mol
LogP0.45
Rot. Bonds5

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

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid (PubChem CID 43465824) has the molecular formula C7H9F2N3O2 and a molecular weight of 205.16 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid
PubChem CID43465824
Molecular FormulaC7H9F2N3O2
Molecular Weight205.16 g/mol
Exact Mass205.07
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid
SMILESO=C(O)CNCc1nccn1C(F)F
InChIInChI=1S/C7H9F2N3O2/c8-7(9)12-2-1-11-5(12)3-10-4-6(13)14/h1-2,7,10H,3-4H2,(H,13,14)
InChIKeyGZNACVLCDGABLL-UHFFFAOYSA-N
XLogP0.45
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.16
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Imidazole-1-acetic acid
CID 656129
1-methyl-1H-imidazole-2-carboxylic acid
CID 557678
(2-Methyl-imidazol-1-yl)-acetic acid
CID 650088
1H-Imidazole-2-carboxylic acid
CID 574321
1-Propylimidazole-2-carboxylic acid
CID 64137870
1H-imidazole-2-carboxylic acid hydrochloride
CID 53230923
2-(1H-imidazol-3-ium-3-yl)acetate
CID 71771693
1-isopropyl-1H-imidazole-2-carboxylic acid
CID 55252644
1-Ethyl-3-methylimidazolium Trifluoroacetate
CID 9815936
1,3-Dimethylimidazolium-2-carboxylate
CID 11513760
1-Ethyl-3-methylimidazolium aminoacetate
CID 55212081
1-Ethyl-1H-imidazole-2-carboxylic acid
CID 2113911

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid (CID 43465824) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid is O=C(O)CNCc1nccn1C(F)F.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid?
The InChIKey is GZNACVLCDGABLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3O2/c8-7(9)12-2-1-11-5(12)3-10-4-6(13)14/h1-2,7,10H,3-4H2,(H,13,14).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid?
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]acetic acid has a molecular weight of 205.16 g/mol, XLogP of 0.45, 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]acetic acid is sourced from PubChem (CID 43465824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).