tert-butyl N-(3-hydroxycyclobutyl)carbamate

C9H17NO3 — CID 22594430

IUPACtert-butyl N-(3-hydroxycyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(O)C1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyWSUMHFNEPOYLJM-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.03
Rot. Bonds1

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

tert-butyl N-(3-hydroxycyclobutyl)carbamate (PubChem CID 22594430) has the molecular formula C9H17NO3 and a molecular weight of 187.24 g/mol. Its IUPAC name is tert-butyl N-(3-hydroxycyclobutyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(3-hydroxycyclobutyl)carbamate
PubChem CID22594430
Molecular FormulaC9H17NO3
Molecular Weight187.24 g/mol
Exact Mass187.12
IUPAC Nametert-butyl N-(3-hydroxycyclobutyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CC(O)C1
InChIInChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6-7,11H,4-5H2,1-3H3,(H,10,12)
InChIKeyWSUMHFNEPOYLJM-UHFFFAOYSA-N
XLogP1.03
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(3-hydroxycyclobutyl)carbamate?
The IUPAC name of tert-butyl N-(3-hydroxycyclobutyl)carbamate (CID 22594430) is tert-butyl N-(3-hydroxycyclobutyl)carbamate.
What is the SMILES notation for tert-butyl N-(3-hydroxycyclobutyl)carbamate?
The canonical SMILES for tert-butyl N-(3-hydroxycyclobutyl)carbamate is CC(C)(C)OC(=O)NC1CC(O)C1.
What is the InChIKey of tert-butyl N-(3-hydroxycyclobutyl)carbamate?
The InChIKey is WSUMHFNEPOYLJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO3/c1-9(2,3)13-8(12)10-6-4-7(11)5-6/h6-7,11H,4-5H2,1-3H3,(H,10,12).
What are the key properties of tert-butyl N-(3-hydroxycyclobutyl)carbamate?
tert-butyl N-(3-hydroxycyclobutyl)carbamate has a molecular weight of 187.24 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(3-hydroxycyclobutyl)carbamate is sourced from PubChem (CID 22594430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).