tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate

C11H19NO3 — CID 58520821

IUPACtert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2(CO2)C1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-8-4-11(5-8)7-14-11/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyUDINOKCFFMMAML-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.69
Rot. Bonds2

About tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate

tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate (PubChem CID 58520821) has the molecular formula C11H19NO3 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate
PubChem CID58520821
Molecular FormulaC11H19NO3
Molecular Weight213.28 g/mol
Exact Mass213.14
IUPAC Nametert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC1CC2(CO2)C1
InChIInChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-8-4-11(5-8)7-14-11/h8H,4-7H2,1-3H3,(H,12,13)
InChIKeyUDINOKCFFMMAML-UHFFFAOYSA-N
XLogP1.69
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate (CID 58520821) is tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC1CC2(CO2)C1.
What is the InChIKey of tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate?
The InChIKey is UDINOKCFFMMAML-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO3/c1-10(2,3)15-9(13)12-6-8-4-11(5-8)7-14-11/h8H,4-7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate?
tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate is sourced from PubChem (CID 58520821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).