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

C10H17NO3 — CID 58520785

IUPACtert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CO2)C1
InChIInChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-7-4-10(5-7)6-13-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyGWOICXWGUZSVLV-UHFFFAOYSA-N
MW199.25 g/mol
LogP1.44
Rot. Bonds1

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

tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate (PubChem CID 58520785) has the molecular formula C10H17NO3 and a molecular weight of 199.25 g/mol. Its IUPAC name is tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate
PubChem CID58520785
Molecular FormulaC10H17NO3
Molecular Weight199.25 g/mol
Exact Mass199.12
IUPAC Nametert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC2(CO2)C1
InChIInChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-7-4-10(5-7)6-13-10/h7H,4-6H2,1-3H3,(H,11,12)
InChIKeyGWOICXWGUZSVLV-UHFFFAOYSA-N
XLogP1.44
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.25
LogP ≤ 51.44
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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Related Compounds

cis-1-(Boc-amino)-3-(hydroxymethyl)cyclobutane
CID 22408683
tert-butyl N-[2-(oxiran-2-yl)ethyl]carbamate
CID 58520778
tert-butyl N-[3-hydroxy-3-(hydroxymethyl)cyclobutyl]carbamate
CID 68067497
tert-butyl N-{5-methyl-1-oxaspiro[2.3]hexan-5-yl}carbamate
CID 177801037
tert-butyl N-(3-fluorooxycyclobutyl)carbamate
CID 145261863
tert-butyl N-[3-(difluoromethoxymethyl)cyclobutyl]carbamate
CID 156855606
tert-butyl N-[3-fluoro-3-(hydroxymethyl)cyclobutyl]carbamate
CID 168150015
tert-butyl N-(1-oxaspiro[2.3]hexan-5-ylmethyl)carbamate
CID 58520821
(cis-3-(tert-Butoxycarbonylamino)cyclobutyl)methyl ethanoate
CID 66764545
tert-butyl N-[3-hydroxy-3-(methoxymethyl)cyclobutyl]carbamate
CID 68067496
(cis-3-Methoxycyclobutyl)carbamic acid tert-butyl ester
CID 68157501
tert-butyl N-(3-ethoxycyclobutyl)carbamate
CID 68279996

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate?
The IUPAC name of tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate (CID 58520785) is tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate?
The canonical SMILES for tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate is CC(C)(C)OC(=O)NC1CC2(CO2)C1.
What is the InChIKey of tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate?
The InChIKey is GWOICXWGUZSVLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO3/c1-9(2,3)14-8(12)11-7-4-10(5-7)6-13-10/h7H,4-6H2,1-3H3,(H,11,12).
What are the key properties of tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate?
tert-butyl N-(1-oxaspiro[2.3]hexan-5-yl)carbamate has a molecular weight of 199.25 g/mol, XLogP of 1.44, 1 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-yl)carbamate is sourced from PubChem (CID 58520785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).