tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C20H28N2O5 — CID 176624509

IUPACtert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CC(O)c1ccn2ccccc12)C(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O5/c1-19(2,3)26-17(24)22(18(25)27-20(4,5)6)13-16(23)14-10-12-21-11-8-7-9-15(14)21/h7-12,16,23H,13H2,1-6H3
InChIKeyKAGZZCTZVDMZEG-UHFFFAOYSA-N
MW376.45 g/mol
LogP4.14
Rot. Bonds3

About tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 176624509) has the molecular formula C20H28N2O5 and a molecular weight of 376.45 g/mol. Its IUPAC name is tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID176624509
Molecular FormulaC20H28N2O5
Molecular Weight376.45 g/mol
Exact Mass376.20
IUPAC Nametert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(CC(O)c1ccn2ccccc12)C(=O)OC(C)(C)C
InChIInChI=1S/C20H28N2O5/c1-19(2,3)26-17(24)22(18(25)27-20(4,5)6)13-16(23)14-10-12-21-11-8-7-9-15(14)21/h7-12,16,23H,13H2,1-6H3
InChIKeyKAGZZCTZVDMZEG-UHFFFAOYSA-N
XLogP4.14
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.45
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-1-indolizin-1-ylethanol
CID 169203364
tert-butyl N-[2-(hydroxymethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232071
tert-butyl N-[(2-bromophenyl)methyl]-N-(imidazo[1,2-a]pyridine-2-carbonyl)carbamate
CID 45277867
tert-butyl N-[2-(bromomethyl)phenyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 121232067
tert-butyl N-(2-hydroxypropyl)-N-phenylcarbamate
CID 102052832
tert-butyl N-benzyl-N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 102250627
2-[(2-methylpropan-2-yl)oxycarbonyl-(2-phenylacetyl)amino]acetic acid
CID 11109126
tert-butyl 2-carbazol-9-ylbutanoate
CID 91602000
tert-butyl N-[(6R)-6-(2-chlorophenyl)-6-hydroxy-2-methylhexan-2-yl]-N-methylcarbamate
CID 155134956
tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate
CID 138971903
tert-butyl N-benzyl-N-(1-phenylethenyl)carbamate
CID 15514558
tert-butyl N-(2-hydroxy-3-phenylpropyl)-N-propylcarbamate
CID 142297238

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 176624509) is tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(CC(O)c1ccn2ccccc12)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is KAGZZCTZVDMZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O5/c1-19(2,3)26-17(24)22(18(25)27-20(4,5)6)13-16(23)14-10-12-21-11-8-7-9-15(14)21/h7-12,16,23H,13H2,1-6H3.
What are the key properties of tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 376.45 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-hydroxy-2-indolizin-1-ylethyl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 176624509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).