tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate

C12H17Cl2N3O3 — CID 126846230

IUPACtert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2cnc(Cl)c2Cl)[C@H](O)C1
InChIInChI=1S/C12H17Cl2N3O3/c1-12(2,3)20-11(19)16-4-7(8(18)5-16)17-6-15-9(13)10(17)14/h6-8,18H,4-5H2,1-3H3/t7?,8-/m1/s1
InChIKeyALOYYVNTZQVFCL-BRFYHDHCSA-N
MW322.19 g/mol
LogP2.34
Rot. Bonds1

About tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate

tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate (PubChem CID 126846230) has the molecular formula C12H17Cl2N3O3 and a molecular weight of 322.19 g/mol. Its IUPAC name is tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate
PubChem CID126846230
Molecular FormulaC12H17Cl2N3O3
Molecular Weight322.19 g/mol
Exact Mass321.06
IUPAC Nametert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(n2cnc(Cl)c2Cl)[C@H](O)C1
InChIInChI=1S/C12H17Cl2N3O3/c1-12(2,3)20-11(19)16-4-7(8(18)5-16)17-6-15-9(13)10(17)14/h6-8,18H,4-5H2,1-3H3/t7?,8-/m1/s1
InChIKeyALOYYVNTZQVFCL-BRFYHDHCSA-N
XLogP2.34
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.19
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (4R)-3-(3,5-dimethylpyrazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 126846216
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CID 54062816
5-chloro-3-[(3R)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-3-yl]imidazole-4-carboxylic acid
CID 146504184
tert-butyl (3R,4R,5R,6S)-3,4,5,6-tetrahydroxyazepane-1-carboxylate
CID 139845782
tert-butyl (3R,4R)-3-(3-fluoroazetidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 126846452
tert-butyl (3R,4R)-3-(1,3-dihydroisoindol-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 126846450
tert-butyl 3-(4-fluorosulfonyl-2-oxopyrrolidin-1-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 168713024
tert-butyl (3S,4S)-3-ethyl-4-hydroxypyrrolidine-1-carboxylate
CID 59842033
tert-butyl (3S,4S)-3-[4-(4-chlorophenyl)-4-hydroxypiperidin-1-yl]-4-hydroxypyrrolidine-1-carboxylate
CID 58451049
ditert-butyl 3-hydroxy-2,3,3a,4,6,6a-hexahydropyrrolo[3,4-b]pyrrole-1,5-dicarboxylate
CID 10664049
tert-butyl 3-(3,4-dihydro-1H-isoquinolin-2-yl)-4-hydroxypyrrolidine-1-carboxylate
CID 67537517
ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate (CID 126846230) is tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(n2cnc(Cl)c2Cl)[C@H](O)C1.
What is the InChIKey of tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate?
The InChIKey is ALOYYVNTZQVFCL-BRFYHDHCSA-N. The full InChI is InChI=1S/C12H17Cl2N3O3/c1-12(2,3)20-11(19)16-4-7(8(18)5-16)17-6-15-9(13)10(17)14/h6-8,18H,4-5H2,1-3H3/t7?,8-/m1/s1.
What are the key properties of tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate?
tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate has a molecular weight of 322.19 g/mol, XLogP of 2.34, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-3-(4,5-dichloroimidazol-1-yl)-4-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 126846230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).