1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid

C10H11F2N3O3 — CID 62874332

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1nccn1C(F)F
InChIInChI=1S/C10H11F2N3O3/c11-10(12)14-4-3-13-7(14)5-15-6(9(17)18)1-2-8(15)16/h3-4,6,10H,1-2,5H2,(H,17,18)
InChIKeyFYYMBVAEZMWZFJ-UHFFFAOYSA-N
MW259.21 g/mol
LogP0.85
Rot. Bonds4

About 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid (PubChem CID 62874332) has the molecular formula C10H11F2N3O3 and a molecular weight of 259.21 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid
PubChem CID62874332
Molecular FormulaC10H11F2N3O3
Molecular Weight259.21 g/mol
Exact Mass259.08
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCC(=O)N1Cc1nccn1C(F)F
InChIInChI=1S/C10H11F2N3O3/c11-10(12)14-4-3-13-7(14)5-15-6(9(17)18)1-2-8(15)16/h3-4,6,10H,1-2,5H2,(H,17,18)
InChIKeyFYYMBVAEZMWZFJ-UHFFFAOYSA-N
XLogP0.85
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.21
LogP ≤ 50.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5H,6H,7H-pyrrolo[1,2-a]imidazole-5-carboxylic acid hydrochloride
CID 165672600
5-(2-ethyl-1H-imidazol-1-yl)-5-oxopentanoic acid
CID 6620569
(4S)-4-amino-1-[3-(2-ethyl-1H-imidazol-1-yl)propanoyl]-L-proline
CID 70748216
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43441704
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
CID 43563749
Methyl 1-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 60314004
Methyl 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 62025959
Ethyl 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 62028574
1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]-2-methylpyrrolidine-2-carboxylic acid
CID 64370944
2-[1-[[1-(Difluoromethyl)imidazol-2-yl]methyl]pyrrolidin-3-yl]acetic acid
CID 65979303
tert-butyl (2R)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 80712403
tert-butyl (2S)-1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylate
CID 80999175

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid (CID 62874332) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid is O=C(O)C1CCC(=O)N1Cc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid?
The InChIKey is FYYMBVAEZMWZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2N3O3/c11-10(12)14-4-3-13-7(14)5-15-6(9(17)18)1-2-8(15)16/h3-4,6,10H,1-2,5H2,(H,17,18).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid has a molecular weight of 259.21 g/mol, XLogP of 0.85, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-oxopyrrolidine-2-carboxylic acid is sourced from PubChem (CID 62874332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).