tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

C15H25NO5 — CID 11277964

IUPACtert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C15H25NO5/c1-14(2,3)20-12(18)16(10-7-8-11(17)9-10)13(19)21-15(4,5)6/h7-8,10-11,17H,9H2,1-6H3/t10-,11+/m0/s1
InChIKeyCOEHCPYENSUXFK-WDEREUQCSA-N
MW299.37 g/mol
LogP2.85
Rot. Bonds1

About tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate

tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 11277964) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID11277964
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Nametert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
SMILESCC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H]1C=C[C@@H](O)C1
InChIInChI=1S/C15H25NO5/c1-14(2,3)20-12(18)16(10-7-8-11(17)9-10)13(19)21-15(4,5)6/h7-8,10-11,17H,9H2,1-6H3/t10-,11+/m0/s1
InChIKeyCOEHCPYENSUXFK-WDEREUQCSA-N
XLogP2.85
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.85
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 tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 11277964) is tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is CC(C)(C)OC(=O)N(C(=O)OC(C)(C)C)[C@H]1C=C[C@@H](O)C1.
What is the InChIKey of tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is COEHCPYENSUXFK-WDEREUQCSA-N. The full InChI is InChI=1S/C15H25NO5/c1-14(2,3)20-12(18)16(10-7-8-11(17)9-10)13(19)21-15(4,5)6/h7-8,10-11,17H,9H2,1-6H3/t10-,11+/m0/s1.
What are the key properties of tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate has a molecular weight of 299.37 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 11277964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).