tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate

C13H23NO5 — CID 42642819

IUPACtert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate
SMILESCOCCO[C@H]1C=CC[C@@H]1N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(15)14(16)10-6-5-7-11(10)18-9-8-17-4/h5,7,10-11,16H,6,8-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyLZFIAOSPPSDKSS-QWRGUYRKSA-N
MW273.33 g/mol
LogP1.97
Rot. Bonds5

About tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate

tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate (PubChem CID 42642819) has the molecular formula C13H23NO5 and a molecular weight of 273.33 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate
PubChem CID42642819
Molecular FormulaC13H23NO5
Molecular Weight273.33 g/mol
Exact Mass273.16
IUPAC Nametert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate
SMILESCOCCO[C@H]1C=CC[C@@H]1N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C13H23NO5/c1-13(2,3)19-12(15)14(16)10-6-5-7-11(10)18-9-8-17-4/h5,7,10-11,16H,6,8-9H2,1-4H3/t10-,11-/m0/s1
InChIKeyLZFIAOSPPSDKSS-QWRGUYRKSA-N
XLogP1.97
TPSA68.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[(1R,2S)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
CID 101466013
tert-butyl N-[(1R,2R)-2-butoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
CID 101466009
tert-butyl N-(4-ethylcyclopent-2-en-1-yl)-N-hydroxycarbamate
CID 85373698
tert-butyl N-[[(1R,5S,6S)-6-bicyclo[3.1.0]hex-2-enyl]methyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 151847511
tert-butyl N-cyclopent-3-en-1-yl-N-methylcarbamate
CID 172587185
tert-butyl N-(2-methoxyethyl)-N-methylcarbamate;sulfur dioxide
CID 158416734
tert-butyl N-tert-butyl-N-[2-(2-methoxyethylamino)ethyl]carbamate
CID 107444446
tert-butyl N-(3-amino-2,3-dimethylbutan-2-yl)-N-ethylcarbamate
CID 134314514
tert-butyl N-tert-butyl-N-[2-(2-methoxyethoxyamino)ethyl]carbamate
CID 107445990
tert-butyl N-(2-amino-2-oxoethyl)-N-(2-methoxyethyl)carbamate
CID 130748777
tert-butyl N-cyclopropyl-N-[[5-(3-methoxypropyl)-2-methylphenyl]methyl]carbamate
CID 66896979
tert-butyl 2-cyclopent-3-en-1-yloxyacetate
CID 123892094

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate (CID 42642819) is tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate is COCCO[C@H]1C=CC[C@@H]1N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate?
The InChIKey is LZFIAOSPPSDKSS-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H23NO5/c1-13(2,3)19-12(15)14(16)10-6-5-7-11(10)18-9-8-17-4/h5,7,10-11,16H,6,8-9H2,1-4H3/t10-,11-/m0/s1.
What are the key properties of tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate?
tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate has a molecular weight of 273.33 g/mol, XLogP of 1.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate is sourced from PubChem (CID 42642819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).