tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate

C15H22N2O7 — CID 90757744

IUPACtert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(=O)On2c(O)ccc2O)CC1
InChIInChI=1S/C15H22N2O7/c1-15(2,3)23-13(20)16-8-6-10(7-9-16)22-14(21)24-17-11(18)4-5-12(17)19/h4-5,10,18-19H,6-9H2,1-3H3
InChIKeyLIPQIUQOWOHTRI-UHFFFAOYSA-N
MW342.35 g/mol
LogP1.86
Rot. Bonds2

About tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate

tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate (PubChem CID 90757744) has the molecular formula C15H22N2O7 and a molecular weight of 342.35 g/mol. Its IUPAC name is tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate
PubChem CID90757744
Molecular FormulaC15H22N2O7
Molecular Weight342.35 g/mol
Exact Mass342.14
IUPAC Nametert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(OC(=O)On2c(O)ccc2O)CC1
InChIInChI=1S/C15H22N2O7/c1-15(2,3)23-13(20)16-8-6-10(7-9-16)22-14(21)24-17-11(18)4-5-12(17)19/h4-5,10,18-19H,6-9H2,1-3H3
InChIKeyLIPQIUQOWOHTRI-UHFFFAOYSA-N
XLogP1.86
TPSA110.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(2,5-Dihydroxypyrrol-1-yl) 2-(trifluoromethyl)piperidine-1-carboxylate
CID 123612673
(2,5-Dihydroxypyrrol-1-yl) propan-2-yl carbonate
CID 53695007
Tert-butyl 4-[2-(2,5-dihydroxypyrrol-1-yl)oxy-2-oxoethyl]piperidine-1-carboxylate
CID 54114629
(2,5-Dihydroxypyrrol-1-yl) oxan-4-yl carbonate
CID 54157741
(2,5-Dihydroxypyrrol-1-yl) 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 54227808
1-O-tert-butyl 2-O-(2,5-dihydroxypyrrol-1-yl) piperidine-1,2-dicarboxylate
CID 54282156
1-O-tert-butyl 4-O-(2,5-dihydroxypyrrol-1-yl) piperidine-1,4-dicarboxylate
CID 54379515
Tert-butyl (2,5-dihydroxypyrrol-1-yl) carbonate
CID 54472893
tert-butyl N-[2-[(2,5-dihydroxypyrrol-1-yl)oxycarbonylamino]ethyl]carbamate
CID 57120685
(2,5-Dihydroxypyrrol-1-yl) 2-(dimethylamino)ethyl carbonate
CID 90686650
(2,5-dihydroxypyrrol-1-yl) N-methyl-N-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]carbamate
CID 90762129
(2,5-dihydroxypyrrol-1-yl) N-heptyl-N-methylcarbamate
CID 90814586

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate (CID 90757744) is tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(OC(=O)On2c(O)ccc2O)CC1.
What is the InChIKey of tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate?
The InChIKey is LIPQIUQOWOHTRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O7/c1-15(2,3)23-13(20)16-8-6-10(7-9-16)22-14(21)24-17-11(18)4-5-12(17)19/h4-5,10,18-19H,6-9H2,1-3H3.
What are the key properties of tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate?
tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate has a molecular weight of 342.35 g/mol, XLogP of 1.86, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(2,5-dihydroxypyrrol-1-yl)oxycarbonyloxypiperidine-1-carboxylate is sourced from PubChem (CID 90757744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).