tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate

C15H25N3O2 — CID 114986197

IUPACtert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)n1cncc1[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-11(2)18-10-16-9-13(18)12-7-6-8-17(12)14(19)20-15(3,4)5/h9-12H,6-8H2,1-5H3/t12-/m0/s1
InChIKeyZCNKXSRMCUCVTE-LBPRGKRZSA-N
MW279.38 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate

tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate (PubChem CID 114986197) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate
PubChem CID114986197
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Nametert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate
SMILESCC(C)n1cncc1[C@@H]1CCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C15H25N3O2/c1-11(2)18-10-16-9-13(18)12-7-6-8-17(12)14(19)20-15(3,4)5/h9-12H,6-8H2,1-5H3/t12-/m0/s1
InChIKeyZCNKXSRMCUCVTE-LBPRGKRZSA-N
XLogP3.54
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 2-[3-(cyclopropylmethyl)imidazol-4-yl]pyrrolidine-1-carboxylate
CID 114703665
tert-butyl (2S)-2-(3-prop-2-enylimidazol-4-yl)pyrrolidine-1-carboxylate
CID 114986201
tert-butyl (2S)-2-[3-(3-aminopropyl)imidazol-4-yl]pyrrolidine-1-carboxylate
CID 114986239
tert-butyl (2S)-2-(1H-imidazol-5-yl)pyrrolidine-1-carboxylate
CID 114986170
tert-butyl 2-(1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 122170287
tert-butyl 2-(5,6-dihydro-4H-1,3-thiazin-2-yl)pyrrolidine-1-carboxylate
CID 102455285
tert-butyl 2-(5-iodo-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 58501743
tert-butyl 2-(2,5-dimethylpyrazol-3-yl)piperidine-1-carboxylate
CID 175471053
tert-butyl (2S)-2-(3-amino-1H-pyrazol-5-yl)pyrrolidine-1-carboxylate
CID 73424849
tert-butyl 5-bromo-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]imidazole-1-carboxylate
CID 58310114
tert-butyl (2R)-2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]pyrrolidine-1-carboxylate
CID 101323143
tert-butyl (2R)-2-(3,5-dimethyl-1H-pyrazol-4-yl)pyrrolidine-1-carboxylate
CID 99978628

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate (CID 114986197) is tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate is CC(C)n1cncc1[C@@H]1CCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate?
The InChIKey is ZCNKXSRMCUCVTE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-11(2)18-10-16-9-13(18)12-7-6-8-17(12)14(19)20-15(3,4)5/h9-12H,6-8H2,1-5H3/t12-/m0/s1.
What are the key properties of tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate?
tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate has a molecular weight of 279.38 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-(3-propan-2-ylimidazol-4-yl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 114986197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).