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

C15H25NO5 — CID 22268914

IUPACtert-butyl N-(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)C1C=CC(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
InChIKeyCOEHCPYENSUXFK-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.85
Rot. Bonds1

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

tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (PubChem CID 22268914) has the molecular formula C15H25NO5 and a molecular weight of 299.37 g/mol. Its IUPAC name is tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
PubChem CID22268914
Molecular FormulaC15H25NO5
Molecular Weight299.37 g/mol
Exact Mass299.17
IUPAC Nametert-butyl N-(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)C1C=CC(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
InChIKeyCOEHCPYENSUXFK-UHFFFAOYSA-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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Related Compounds

tert-butyl N-[(1R,4R)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate
CID 10977532
Tert-butyl ((1S,4R)-4-hydroxycyclopent-2-EN-1-YL)carbamate
CID 10856477
tert-butyl (2S)-2-[(E)-3-hydroxyprop-1-enyl]pyrrolidine-1-carboxylate
CID 11075145
(1r-cis)-Bis(1,1-dimethylethyl)-4-hydroxy-2-cyclopentenylimidodicarbonate
CID 11277964
tert-butyl N-[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]-N-prop-2-enylcarbamate
CID 11096697
Tert-butyl ((1R,4S)-4-hydroxycyclopent-2-EN-1-YL)carbamate
CID 11084836
Tert-butyl 2-(3-hydroxyprop-1-en-1-yl)pyrrolidine-1-carboxylate
CID 14660987
tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)carbamate
CID 22594589
tert-butyl[(1R,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid
CID 45091918
tert-butyl-[(1S,4S)-4-hydroxycyclopent-2-en-1-yl]carbamic acid
CID 45091928
(R)-2-(2-hydroxyethyl)-2,5-dihydropyrrole-1-carboxylic acid tert-butyl ester
CID 58640170
2-(3-Hydroxy-propenyl)-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 67413887

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The IUPAC name of tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate (CID 22268914) is tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate.
What is the SMILES notation for tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The canonical SMILES for tert-butyl N-(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)C1C=CC(O)C1.
What is the InChIKey of tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
The InChIKey is COEHCPYENSUXFK-UHFFFAOYSA-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.
What are the key properties of tert-butyl N-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate?
tert-butyl N-(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-(4-hydroxycyclopent-2-en-1-yl)-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate is sourced from PubChem (CID 22268914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).