tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate

C12H21NO4 — CID 42642820

IUPACtert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
SMILESCCO[C@@H]1C=CC[C@@H]1N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-5-16-10-8-6-7-9(10)13(15)11(14)17-12(2,3)4/h6,8-10,15H,5,7H2,1-4H3/t9-,10+/m0/s1
InChIKeyCGGDXDYUUMLRTA-VHSXEESVSA-N
MW243.30 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate

tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate (PubChem CID 42642820) has the molecular formula C12H21NO4 and a molecular weight of 243.30 g/mol. Its IUPAC name is tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
PubChem CID42642820
Molecular FormulaC12H21NO4
Molecular Weight243.30 g/mol
Exact Mass243.15
IUPAC Nametert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
SMILESCCO[C@@H]1C=CC[C@@H]1N(O)C(=O)OC(C)(C)C
InChIInChI=1S/C12H21NO4/c1-5-16-10-8-6-7-9(10)13(15)11(14)17-12(2,3)4/h6,8-10,15H,5,7H2,1-4H3/t9-,10+/m0/s1
InChIKeyCGGDXDYUUMLRTA-VHSXEESVSA-N
XLogP2.35
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.30
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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-hydroxy-N-[(1R,2R)-2-methoxycyclopent-3-en-1-yl]carbamate
CID 10728108
tert-butyl N-hydroxy-N-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate
CID 57399841
tert-butyl N-hydroxy-N-[(1S,2R)-2-methoxycyclopent-3-en-1-yl]carbamate
CID 101466000
tert-butyl N-hydroxy-N-[(1S,2S)-2-methoxycyclopent-3-en-1-yl]carbamate
CID 101716803
[(1S)-4-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] acetate
CID 87885201
tert-butyl N-[(1S,2R)-1-(2,5-dihydrofuran-2-yl)-4-methoxy-2-methylbut-3-enyl]-N-methylcarbamate
CID 173538848
tert-butyl N-hydroxy-N-[(1R,4R)-4-methoxycyclopent-2-en-1-yl]carbamate
CID 10489583
tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate
CID 10657027
[(1S,4R)-4-[hydroxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] acetate
CID 25188287
tert-butyl N-hydroxy-N-[(1S,2S)-2-(2-methoxyethoxy)cyclopent-3-en-1-yl]carbamate
CID 42642819
tert-butyl N-[(1S,2S)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate
CID 42642821
tert-butyl N-hydroxy-N-[(1R,2S)-2-methoxycyclopent-3-en-1-yl]carbamate
CID 101466001

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate?
The IUPAC name of tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate (CID 42642820) is tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate.
What is the SMILES notation for tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate?
The canonical SMILES for tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate is CCO[C@@H]1C=CC[C@@H]1N(O)C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate?
The InChIKey is CGGDXDYUUMLRTA-VHSXEESVSA-N. The full InChI is InChI=1S/C12H21NO4/c1-5-16-10-8-6-7-9(10)13(15)11(14)17-12(2,3)4/h6,8-10,15H,5,7H2,1-4H3/t9-,10+/m0/s1.
What are the key properties of tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate?
tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate has a molecular weight of 243.30 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S,2R)-2-ethoxycyclopent-3-en-1-yl]-N-hydroxycarbamate is sourced from PubChem (CID 42642820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).