tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate

C15H26N2O5 — CID 11500621

IUPACtert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC[C@@H]1NC(=O)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C15H26N2O5/c1-14(2,3)22-13(19)16-8-6-7-9-10-11(12(18)17-9)21-15(4,5)20-10/h9-11H,6-8H2,1-5H3,(H,16,19)(H,17,18)/t9-,10+,11+/m0/s1
InChIKeySMTMGKUYJOTVLL-HBNTYKKESA-N
MW314.38 g/mol
LogP1.31
Rot. Bonds4

About tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate

tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate (PubChem CID 11500621) has the molecular formula C15H26N2O5 and a molecular weight of 314.38 g/mol. Its IUPAC name is tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate
PubChem CID11500621
Molecular FormulaC15H26N2O5
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Nametert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC[C@@H]1NC(=O)[C@@H]2OC(C)(C)O[C@H]12
InChIInChI=1S/C15H26N2O5/c1-14(2,3)22-13(19)16-8-6-7-9-10-11(12(18)17-9)21-15(4,5)20-10/h9-11H,6-8H2,1-5H3,(H,16,19)(H,17,18)/t9-,10+,11+/m0/s1
InChIKeySMTMGKUYJOTVLL-HBNTYKKESA-N
XLogP1.31
TPSA85.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate?
The IUPAC name of tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate (CID 11500621) is tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate?
The canonical SMILES for tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate is CC(C)(C)OC(=O)NCCC[C@@H]1NC(=O)[C@@H]2OC(C)(C)O[C@H]12.
What is the InChIKey of tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate?
The InChIKey is SMTMGKUYJOTVLL-HBNTYKKESA-N. The full InChI is InChI=1S/C15H26N2O5/c1-14(2,3)22-13(19)16-8-6-7-9-10-11(12(18)17-9)21-15(4,5)20-10/h9-11H,6-8H2,1-5H3,(H,16,19)(H,17,18)/t9-,10+,11+/m0/s1.
What are the key properties of tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate?
tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate has a molecular weight of 314.38 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-[(3aR,6S,6aR)-2,2-dimethyl-4-oxo-3a,5,6,6a-tetrahydro-[1,3]dioxolo[4,5-c]pyrrol-6-yl]propyl]carbamate is sourced from PubChem (CID 11500621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).