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

C10H13F2N3O2 — CID 43441704

IUPAC1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nccn1C(F)F
InChIInChI=1S/C10H13F2N3O2/c11-10(12)15-5-3-13-8(15)6-14-4-1-2-7(14)9(16)17/h3,5,7,10H,1-2,4,6H2,(H,16,17)
InChIKeyMFUZYRQPDZDZMV-UHFFFAOYSA-N
MW245.23 g/mol
LogP1.33
Rot. Bonds4

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

1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid (PubChem CID 43441704) has the molecular formula C10H13F2N3O2 and a molecular weight of 245.23 g/mol. Its IUPAC name is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid
PubChem CID43441704
Molecular FormulaC10H13F2N3O2
Molecular Weight245.23 g/mol
Exact Mass245.10
IUPAC Name1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nccn1C(F)F
InChIInChI=1S/C10H13F2N3O2/c11-10(12)15-5-3-13-8(15)6-14-4-1-2-7(14)9(16)17/h3,5,7,10H,1-2,4,6H2,(H,16,17)
InChIKeyMFUZYRQPDZDZMV-UHFFFAOYSA-N
XLogP1.33
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1H-Imidazol-1-yl)pentanoic acid hydrochloride
CID 45259324
(2S)-2-amino-5-(2-aminoimidazol-1-yl)pentanoic Acid
CID 10241837
5-(1H-imidazol-1-yl)pentanoic acid
CID 12803313
1-(Pyrazin-2-yl)pyrrolidine-2-carboxylic acid
CID 16794777
5H,6H,7H-pyrrolo[1,2-a]imidazole-5-carboxylic acid hydrochloride
CID 165672600
1-Ethyl-3-methyl-1H-imidazol-3-ium L-prolinate
CID 25053223
2-Amino-5-(2-amino-1H-imidazol-1-yl)pentanoic acid
CID 91253396
1-Butyl-3-methylimidazolium l-prolinate
CID 129846581
1-Butyl-2,3-dimethylimidazolium (s)-2-pyrrolidinecarboxylic acid salt
CID 132471902
3-[[1-(Difluoromethyl)imidazol-2-yl]methyl-methylamino]-5-methyloxolan-2-one
CID 72114631
3,3-Difluoro-2-(3-prop-2-enylimidazol-3-ium-1-yl)pentanoic acid
CID 87199263
1-[2-(Trifluoromethyl)imidazol-1-yl]cyclopropane-1-carboxylic acid
CID 171833140

Frequently Asked Questions

What is the IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid (CID 43441704) is 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1nccn1C(F)F.
What is the InChIKey of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MFUZYRQPDZDZMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2/c11-10(12)15-5-3-13-8(15)6-14-4-1-2-7(14)9(16)17/h3,5,7,10H,1-2,4,6H2,(H,16,17).
What are the key properties of 1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid?
1-[[1-(difluoromethyl)imidazol-2-yl]methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 245.23 g/mol, XLogP of 1.33, 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]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 43441704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).