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

C10H15F2N3O2 — CID 43631487

IUPAC2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid
SMILESCCCC(NCc1nccn1C(F)F)C(=O)O
InChIInChI=1S/C10H15F2N3O2/c1-2-3-7(9(16)17)14-6-8-13-4-5-15(8)10(11)12/h4-5,7,10,14H,2-3,6H2,1H3,(H,16,17)
InChIKeyQSDNVFDGLPIIQV-UHFFFAOYSA-N
MW247.24 g/mol
LogP1.62
Rot. Bonds7

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

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid (PubChem CID 43631487) has the molecular formula C10H15F2N3O2 and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid
PubChem CID43631487
Molecular FormulaC10H15F2N3O2
Molecular Weight247.24 g/mol
Exact Mass247.11
IUPAC Name2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid
SMILESCCCC(NCc1nccn1C(F)F)C(=O)O
InChIInChI=1S/C10H15F2N3O2/c1-2-3-7(9(16)17)14-6-8-13-4-5-15(8)10(11)12/h4-5,7,10,14H,2-3,6H2,1H3,(H,16,17)
InChIKeyQSDNVFDGLPIIQV-UHFFFAOYSA-N
XLogP1.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic Acid
CID 10241837
2-[(Imidazole-1-carbonyl)-amino]-pentanoic acid methyl ester
CID 44306172
2-(1H-imidazol-1-yl)butanoic acid
CID 19961525
methyl (2R)-2-(imidazole-1-carbonylamino)pentanoate
CID 44306136
Glyoxal-lysine dimer
CID 46878529
1-Methyl-3-{2-[(2s)-pyrrolidine-2-carbonyloxy]-ethyl}-1h-imidazol-3-ium trifluoroacetate
CID 25198598
1-Ethyl-3-methyl-1H-imidazol-3-ium L-prolinate
CID 25053223
2-Amino-6-[3-(5-amino-5-carboxypentyl)imidazol-3-ium-1-yl]hexanoic acid
CID 25204059
2-Amino-5-(2-amino-1H-imidazol-1-yl)pentanoic acid
CID 91253396
1-Carboxypropyl-3-methyl imidazolium bromide
CID 129831047
1-Carboxypropyl-3-methyl imidazolium chloride
CID 129831049
1-Butyl-3-methylimidazolium l-prolinate
CID 129846581

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid?
The IUPAC name of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid (CID 43631487) is 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid.
What is the SMILES notation for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid?
The canonical SMILES for 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid is CCCC(NCc1nccn1C(F)F)C(=O)O.
What is the InChIKey of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid?
The InChIKey is QSDNVFDGLPIIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F2N3O2/c1-2-3-7(9(16)17)14-6-8-13-4-5-15(8)10(11)12/h4-5,7,10,14H,2-3,6H2,1H3,(H,16,17).
What are the key properties of 2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid?
2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]pentanoic acid has a molecular weight of 247.24 g/mol, XLogP of 1.62, 7 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]pentanoic acid is sourced from PubChem (CID 43631487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).