tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

C15H26N2O4 — CID 69221786

IUPACtert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
SMILESCC(=O)OCC1C(N)CC2CN(C(=O)OC(C)(C)C)CC21
InChIInChI=1S/C15H26N2O4/c1-9(18)20-8-12-11-7-17(6-10(11)5-13(12)16)14(19)21-15(2,3)4/h10-13H,5-8,16H2,1-4H3
InChIKeyBZDKAOKLYKCZPT-UHFFFAOYSA-N
MW298.38 g/mol
LogP1.38
Rot. Bonds2

About tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate

tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (PubChem CID 69221786) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
PubChem CID69221786
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Nametert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate
SMILESCC(=O)OCC1C(N)CC2CN(C(=O)OC(C)(C)C)CC21
InChIInChI=1S/C15H26N2O4/c1-9(18)20-8-12-11-7-17(6-10(11)5-13(12)16)14(19)21-15(2,3)4/h10-13H,5-8,16H2,1-4H3
InChIKeyBZDKAOKLYKCZPT-UHFFFAOYSA-N
XLogP1.38
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate with MolForge

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Related Compounds

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ditert-butyl 4,9-diazatricyclo[5.3.0.02,6]decane-4,9-dicarboxylate
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tert-butyl (1R,5S)-6-(hydroxymethyl)-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 97294954
tert-butyl (1R,5S)-6-ethyl-3-azabicyclo[3.1.0]hexane-3-carboxylate
CID 164877871
tert-butyl 4-(aminomethyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
The IUPAC name of tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate (CID 69221786) is tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate.
What is the SMILES notation for tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
The canonical SMILES for tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate is CC(=O)OCC1C(N)CC2CN(C(=O)OC(C)(C)C)CC21.
What is the InChIKey of tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
The InChIKey is BZDKAOKLYKCZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-9(18)20-8-12-11-7-17(6-10(11)5-13(12)16)14(19)21-15(2,3)4/h10-13H,5-8,16H2,1-4H3.
What are the key properties of tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate?
tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate has a molecular weight of 298.38 g/mol, XLogP of 1.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(acetyloxymethyl)-5-amino-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carboxylate is sourced from PubChem (CID 69221786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).