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

C11H17NO4 — CID 59153748

IUPAC[(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate
SMILESCC(C)(C)OC(=O)N[C@H]1C=C[C@@H](OC=O)C1
InChIInChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-8-4-5-9(6-8)15-7-13/h4-5,7-9H,6H2,1-3H3,(H,12,14)/t8-,9+/m0/s1
InChIKeyZXPGVBZBHNUHED-DTWKUNHWSA-N
MW227.26 g/mol
LogP1.38
Rot. Bonds3

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

[(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate (PubChem CID 59153748) has the molecular formula C11H17NO4 and a molecular weight of 227.26 g/mol. Its IUPAC name is [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate.

Molecular Properties

Compound Name[(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate
PubChem CID59153748
Molecular FormulaC11H17NO4
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name[(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate
SMILESCC(C)(C)OC(=O)N[C@H]1C=C[C@@H](OC=O)C1
InChIInChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-8-4-5-9(6-8)15-7-13/h4-5,7-9H,6H2,1-3H3,(H,12,14)/t8-,9+/m0/s1
InChIKeyZXPGVBZBHNUHED-DTWKUNHWSA-N
XLogP1.38
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate?
The IUPAC name of [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate (CID 59153748) is [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate.
What is the SMILES notation for [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate?
The canonical SMILES for [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate is CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](OC=O)C1.
What is the InChIKey of [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate?
The InChIKey is ZXPGVBZBHNUHED-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-8-4-5-9(6-8)15-7-13/h4-5,7-9H,6H2,1-3H3,(H,12,14)/t8-,9+/m0/s1.
What are the key properties of [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate?
[(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate has a molecular weight of 227.26 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclopent-2-en-1-yl] formate is sourced from PubChem (CID 59153748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).