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

C10H15F2N3O2 — CID 62820552

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid
SMILESCN(Cc1nccn1C(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H15F2N3O2/c1-10(2,8(16)17)14(3)6-7-13-4-5-15(7)9(11)12/h4-5,9H,6H2,1-3H3,(H,16,17)
InChIKeyCDSRWFXMJUGXCI-UHFFFAOYSA-N
MW247.25 g/mol
LogP1.57
Rot. Bonds5

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

2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid (PubChem CID 62820552) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.25 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid
PubChem CID62820552
Molecular FormulaC10H15F2N3O2
Molecular Weight247.25 g/mol
Exact Mass247.11
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid
SMILESCN(Cc1nccn1C(F)F)C(C)(C)C(=O)O
InChIInChI=1S/C10H15F2N3O2/c1-10(2,8(16)17)14(3)6-7-13-4-5-15(7)9(11)12/h4-5,9H,6H2,1-3H3,(H,16,17)
InChIKeyCDSRWFXMJUGXCI-UHFFFAOYSA-N
XLogP1.57
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.25
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid (CID 62820552) is 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid is CN(Cc1nccn1C(F)F)C(C)(C)C(=O)O.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid?
The InChIKey is CDSRWFXMJUGXCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-10(2,8(16)17)14(3)6-7-13-4-5-15(7)9(11)12/h4-5,9H,6H2,1-3H3,(H,16,17).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid?
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid has a molecular weight of 247.25 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-2-methylpropanoic acid is sourced from PubChem (CID 62820552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).