Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid

C₁₀H₂₂N₂O₆ — CID 158003972

About Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid

Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid (PubChem CID 158003972) has the molecular formula C₁₀H₂₂N₂O₆ and a molecular weight of 266.29 g/mol. Its IUPAC name is tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid.

Molecular Properties

• Compound Name: Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid
• PubChem CID: 158003972
• Molecular Formula: C₁₀H₂₂N₂O₆
• Molecular Weight: 266.29 g/mol
• Exact Mass: 266.15
• IUPAC Name: tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid
• SMILES: CC(C)(C)N(O)C(=O)O.CC(C)(C)OC(=O)NO
• InChI: InChI=1S/2C5H11NO3/c1-5(2,3)9-4(7)6-8;1-5(2,3)6(9)4(7)8/h8H,1-3H3,(H,6,7);9H,1-3H3,(H,7,8)
• InChIKey: FEBHPIMSAATNQM-UHFFFAOYSA-N
• XLogP: 2.05
• TPSA: 119.33 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	266.29
LogP ≤ 5	2.05
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid?

The IUPAC name of Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid (CID 158003972) is tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid.

What is the SMILES notation for Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid?

The canonical SMILES for Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid is CC(C)(C)N(O)C(=O)O.CC(C)(C)OC(=O)NO.

What is the InChIKey of Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid?

The InChIKey is FEBHPIMSAATNQM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H11NO3/c1-5(2,3)9-4(7)6-8;1-5(2,3)6(9)4(7)8/h8H,1-3H3,(H,6,7);9H,1-3H3,(H,7,8).

What are the key properties of Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid?

Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid has a molecular weight of 266.29 g/mol, XLogP of 2.05, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for Tert-butyl N-hydroxycarbamate;tert-butyl(hydroxy)carbamic acid is sourced from PubChem (CID 158003972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158003972 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.