tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate

C11H19NO4 — CID 10657027

IUPACtert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate
SMILESCO[C@@H]1C=C[C@H](N(O)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(13)12(14)8-5-6-9(7-8)15-4/h5-6,8-9,14H,7H2,1-4H3/t8-,9+/m0/s1
InChIKeyVPLRNESQDQGRAM-DTWKUNHWSA-N
MW229.28 g/mol
LogP1.96
Rot. Bonds2

About tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate

tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate (PubChem CID 10657027) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate
PubChem CID10657027
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate
SMILESCO[C@@H]1C=C[C@H](N(O)C(=O)OC(C)(C)C)C1
InChIInChI=1S/C11H19NO4/c1-11(2,3)16-10(13)12(14)8-5-6-9(7-8)15-4/h5-6,8-9,14H,7H2,1-4H3/t8-,9+/m0/s1
InChIKeyVPLRNESQDQGRAM-DTWKUNHWSA-N
XLogP1.96
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 51.96
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 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 15332365
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
(1R,4S)-tert-butyl 2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 10584076
tert-butyl N-prop-2-enyl-N-[(1R,4R)-4-(tributylstannylmethoxy)cyclopent-2-en-1-yl]carbamate
CID 10973571
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
tert-butyl (1S,4R)-2-oxa-3-azabicyclo[2.2.1]hept-5-ene-3-carboxylate
CID 10655531
[(1S,4S)-4-[bis[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] acetate
CID 21027492
(1S-cis)-4-(di-tert-butoxycarbonylamino)cyclopent-2-enyl acetate
CID 69546006
2-(2,5-Dihydrofuran-2-yl)ethyl-[(2-methylpropan-2-yl)oxy]carbamic acid
CID 87479915
[(1S)-4-[(2-methylpropan-2-yl)oxy-[(2-methylpropan-2-yl)oxycarbonyl]amino]cyclopent-2-en-1-yl] acetate
CID 87885201

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate (CID 10657027) is tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate is CO[C@@H]1C=C[C@H](N(O)C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate?
The InChIKey is VPLRNESQDQGRAM-DTWKUNHWSA-N. The full InChI is InChI=1S/C11H19NO4/c1-11(2,3)16-10(13)12(14)8-5-6-9(7-8)15-4/h5-6,8-9,14H,7H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate?
tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate has a molecular weight of 229.28 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-hydroxy-N-[(1R,4S)-4-methoxycyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 10657027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).