tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

C14H23N3O2 — CID 126580999

IUPACtert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
SMILESCc1cnc([C@@H]2CC[C@H](C)N2C(=O)OC(C)(C)C)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9-8-15-12(16-9)11-7-6-10(2)17(11)13(18)19-14(3,4)5/h8,10-11H,6-7H2,1-5H3,(H,15,16)/t10-,11-/m0/s1
InChIKeyYZTPSLMZIQKFHX-QWRGUYRKSA-N
MW265.36 g/mol
LogP3.18
Rot. Bonds1

About tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate

tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate (PubChem CID 126580999) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
PubChem CID126580999
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Nametert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
SMILESCc1cnc([C@@H]2CC[C@H](C)N2C(=O)OC(C)(C)C)[nH]1
InChIInChI=1S/C14H23N3O2/c1-9-8-15-12(16-9)11-7-6-10(2)17(11)13(18)19-14(3,4)5/h8,10-11H,6-7H2,1-5H3,(H,15,16)/t10-,11-/m0/s1
InChIKeyYZTPSLMZIQKFHX-QWRGUYRKSA-N
XLogP3.18
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl 2-methyl-5-[5-[4-[4-[2-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 74409491
tert-butyl 2-methyl-5-[5-[4-[4-[2-(5-methylpyrrolidin-2-yl)-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 143848551
tert-butyl 2-[5-(6-bromonaphthalen-2-yl)-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate
CID 66981846
tert-butyl (2S,5S)-2-[5-[4-[4-[5-fluoro-2-[(2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate
CID 58519356
tert-butyl (2S,5S)-2-methyl-5-[5-[4-[6-[2-[(2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-tricyclo[6.2.1.02,7]undeca-2,4,6-trienyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 118266998
tert-butyl 2-[5-fluoro-4-[4-[4-[5-fluoro-2-[5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-4-yl]phenyl]phenyl]-1H-imidazol-2-yl]-5-methylpyrrolidine-1-carboxylate
CID 75991858
[(2S)-3-methyl-1-[(2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-1-oxobutan-2-yl]carbamic acid
CID 163926874
tert-butyl (2S,5S)-2-(5-amino-3-pyridinyl)-5-methylpyrrolidine-1-carboxylate
CID 172594213
(2S,5S)-2-tert-butyl-5-methyl-2-[5-[4-[6-[2-[(2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 66982016
tert-butyl (2S,5S)-2-methyl-5-[4-[4-[2-[2-[(2S,5S)-5-methyl-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]quinolin-6-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidine-1-carboxylate
CID 58498902
tert-butyl 2-[5-(4-bromophenyl)-1H-imidazol-2-yl]-5-ethylpyrrolidine-1-carboxylate
CID 67992942
tert-butyl 3-(5-bromo-1H-imidazol-2-yl)-2-azabicyclo[3.1.0]hexane-2-carboxylate
CID 123993723

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate (CID 126580999) is tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate is Cc1cnc([C@@H]2CC[C@H](C)N2C(=O)OC(C)(C)C)[nH]1.
What is the InChIKey of tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
The InChIKey is YZTPSLMZIQKFHX-QWRGUYRKSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-9-8-15-12(16-9)11-7-6-10(2)17(11)13(18)19-14(3,4)5/h8,10-11H,6-7H2,1-5H3,(H,15,16)/t10-,11-/m0/s1.
What are the key properties of tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate?
tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate has a molecular weight of 265.36 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S,5S)-2-methyl-5-(5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 126580999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).