tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate

C10H19NO3 — CID 58007014

IUPACtert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC(O)C1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11(4)7-5-8(12)6-7/h7-8,12H,5-6H2,1-4H3
InChIKeyAWAUKBRXWGIKJB-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.38
Rot. Bonds1

About tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate

tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate (PubChem CID 58007014) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate
PubChem CID58007014
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Nametert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate
SMILESCN(C(=O)OC(C)(C)C)C1CC(O)C1
InChIInChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11(4)7-5-8(12)6-7/h7-8,12H,5-6H2,1-4H3
InChIKeyAWAUKBRXWGIKJB-UHFFFAOYSA-N
XLogP1.38
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate?
The IUPAC name of tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate (CID 58007014) is tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate?
The canonical SMILES for tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate is CN(C(=O)OC(C)(C)C)C1CC(O)C1.
What is the InChIKey of tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate?
The InChIKey is AWAUKBRXWGIKJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-10(2,3)14-9(13)11(4)7-5-8(12)6-7/h7-8,12H,5-6H2,1-4H3.
What are the key properties of tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate?
tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate has a molecular weight of 201.27 g/mol, XLogP of 1.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxycyclobutyl)-N-methylcarbamate is sourced from PubChem (CID 58007014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).