tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate

C12H22N2O2 — CID 11514113

IUPACtert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN2CCC[C@@H]12
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)13-9-6-8-14-7-4-5-10(9)14/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyNSDDOUBSEMTRSS-ZJUUUORDSA-N
MW226.32 g/mol
LogP1.75
Rot. Bonds1

About tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate

tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate (PubChem CID 11514113) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
PubChem CID11514113
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Nametert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@@H]1CCN2CCC[C@@H]12
InChIInChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)13-9-6-8-14-7-4-5-10(9)14/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m1/s1
InChIKeyNSDDOUBSEMTRSS-ZJUUUORDSA-N
XLogP1.75
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate with MolForge

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Related Compounds

tert-butyl N-[(3R,4S)-4-pyrrolidin-1-yloxan-3-yl]carbamate
CID 67358967
2-amino-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methylpropanamide
CID 61264414
1-tert-butyl-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)urea
CID 115585906
N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)-2-methyl-2-(methylamino)propanamide
CID 62836029
tert-butyl N-(1-cyclopropylazocan-5-yl)carbamate
CID 166867024
2-(tert-butylamino)-N-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)acetamide
CID 78953701
tert-butyl N-[(3S)-4-(4-oxopiperidin-1-yl)oxan-3-yl]carbamate
CID 90290949
N-(1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl)acetamide
CID 60770068
tert-butyl N-cyclopropyl-N-[2-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)ethyl]carbamate
CID 107246328
tert-butyl N-[(3R)-1-cyclopropylpiperidin-3-yl]carbamate
CID 95912362
tert-butyl (4S)-3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)-4-methoxypyrrolidine-1-carboxylate
CID 107244781
tert-butyl N-[3-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-ylamino)propyl]-N-methylcarbamate
CID 107242029

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate?
The IUPAC name of tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate (CID 11514113) is tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate is CC(C)(C)OC(=O)N[C@@H]1CCN2CCC[C@@H]12.
What is the InChIKey of tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate?
The InChIKey is NSDDOUBSEMTRSS-ZJUUUORDSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-12(2,3)16-11(15)13-9-6-8-14-7-4-5-10(9)14/h9-10H,4-8H2,1-3H3,(H,13,15)/t9-,10+/m1/s1.
What are the key properties of tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate?
tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate has a molecular weight of 226.32 g/mol, XLogP of 1.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,8S)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]carbamate is sourced from PubChem (CID 11514113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).