tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate

C12H22N2O3 — CID 77301632

IUPACtert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12CNCC1CCOC2
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-12-7-13-6-9(12)4-5-16-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyPGZYESLDSMCWSO-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.89
Rot. Bonds1

About tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate

tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate (PubChem CID 77301632) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate
PubChem CID77301632
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Nametert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate
SMILESCC(C)(C)OC(=O)NC12CNCC1CCOC2
InChIInChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-12-7-13-6-9(12)4-5-16-8-12/h9,13H,4-8H2,1-3H3,(H,14,15)
InChIKeyPGZYESLDSMCWSO-UHFFFAOYSA-N
XLogP0.89
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate with MolForge

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Related Compounds

tert-butyl N-[(3aS,6aR)-5-fluoro-2,3,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-3a-yl]carbamate
CID 69173106
tert-butyl N-[1-[(3R)-pyrrolidin-3-yl]cyclopropyl]carbamate;oxalic acid
CID 67340995
tert-butyl N-(3-azabicyclo[4.1.0]heptan-6-yl)carbamate
CID 59776920
tert-butyl N-[(3S,4R)-3-methyl-3-[(2-methylpropan-2-yl)oxycarbonylamino]oxepan-4-yl]carbamate
CID 170031625
6-[(2-methylpropan-2-yl)oxycarbonylamino]-1,4-dioxepane-6-carboxylic acid
CID 130559641
tert-butyl N-(1-morpholin-2-ylcyclopropyl)carbamate
CID 175669668
benzyl (3aS,7aR)-3a-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3,4,6,7,7a-hexahydropyrano[3,4-c]pyrrole-2-carboxylate
CID 67490817
tert-butyl N-[2-(3-azabicyclo[3.2.0]heptan-1-yl)ethyl]carbamate
CID 155821381
3-[(2-methylpropan-2-yl)oxycarbonylamino]oxolane-3-carboxylic acid
CID 45026943
tert-butyl N-[(3R,4S)-4-ethyl-3-methylpyrrolidin-3-yl]carbamate
CID 68861367
tert-butyl N-[(3S)-4,4-dimethylpyrrolidin-3-yl]carbamate
CID 45092197
tert-butyl N-[(3,4-dihydroxyoxan-3-yl)methyl]carbamate
CID 167723194

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate?
The IUPAC name of tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate (CID 77301632) is tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate.
What is the SMILES notation for tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate?
The canonical SMILES for tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate is CC(C)(C)OC(=O)NC12CNCC1CCOC2.
What is the InChIKey of tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate?
The InChIKey is PGZYESLDSMCWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-11(2,3)17-10(15)14-12-7-13-6-9(12)4-5-16-8-12/h9,13H,4-8H2,1-3H3,(H,14,15).
What are the key properties of tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate?
tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate has a molecular weight of 242.32 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2,3,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-3a-yl)carbamate is sourced from PubChem (CID 77301632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).