ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate

C13H21NO5 — CID 11140213

IUPACethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate
SMILESCCOC(=O)O[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H21NO5/c1-5-17-12(16)18-10-7-6-9(8-10)14-11(15)19-13(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyOBWURLOIBWZRDI-VHSXEESVSA-N
MW271.31 g/mol
LogP2.38
Rot. Bonds3

About ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate

ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate (PubChem CID 11140213) has the molecular formula C13H21NO5 and a molecular weight of 271.31 g/mol. Its IUPAC name is ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate.

Molecular Properties

Compound Nameethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate
PubChem CID11140213
Molecular FormulaC13H21NO5
Molecular Weight271.31 g/mol
Exact Mass271.14
IUPAC Nameethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate
SMILESCCOC(=O)O[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1
InChIInChI=1S/C13H21NO5/c1-5-17-12(16)18-10-7-6-9(8-10)14-11(15)19-13(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,14,15)/t9-,10+/m0/s1
InChIKeyOBWURLOIBWZRDI-VHSXEESVSA-N
XLogP2.38
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.31
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate?
The IUPAC name of ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate (CID 11140213) is ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate.
What is the SMILES notation for ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate?
The canonical SMILES for ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate is CCOC(=O)O[C@@H]1C=C[C@H](NC(=O)OC(C)(C)C)C1.
What is the InChIKey of ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate?
The InChIKey is OBWURLOIBWZRDI-VHSXEESVSA-N. The full InChI is InChI=1S/C13H21NO5/c1-5-17-12(16)18-10-7-6-9(8-10)14-11(15)19-13(2,3)4/h6-7,9-10H,5,8H2,1-4H3,(H,14,15)/t9-,10+/m0/s1.
What are the key properties of ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate?
ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate has a molecular weight of 271.31 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] carbonate is sourced from PubChem (CID 11140213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).