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

C11H19NO4 — CID 57399841

IUPACtert-butyl N-hydroxy-N-[(1S,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-/m1/s1
InChIKeyVPLRNESQDQGRAM-RKDXNWHRSA-N
MW229.28 g/mol
LogP1.96
Rot. Bonds2

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

tert-butyl N-hydroxy-N-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate (PubChem CID 57399841) has the molecular formula C11H19NO4 and a molecular weight of 229.28 g/mol. Its IUPAC name is tert-butyl N-hydroxy-N-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-hydroxy-N-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate
PubChem CID57399841
Molecular FormulaC11H19NO4
Molecular Weight229.28 g/mol
Exact Mass229.13
IUPAC Nametert-butyl N-hydroxy-N-[(1S,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-/m1/s1
InChIKeyVPLRNESQDQGRAM-RKDXNWHRSA-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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-hydroxy-N-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate?
The IUPAC name of tert-butyl N-hydroxy-N-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate (CID 57399841) is tert-butyl N-hydroxy-N-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-hydroxy-N-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate?
The canonical SMILES for tert-butyl N-hydroxy-N-[(1S,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-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate?
The InChIKey is VPLRNESQDQGRAM-RKDXNWHRSA-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-/m1/s1.
What are the key properties of tert-butyl N-hydroxy-N-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate?
tert-butyl N-hydroxy-N-[(1S,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-[(1S,4S)-4-methoxycyclopent-2-en-1-yl]carbamate is sourced from PubChem (CID 57399841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).