tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate

C12H23NO4 — CID 178199950

IUPACtert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate
SMILESCOC1(CNC(=O)OC(C)(C)C)CC(CO)C1
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-8-12(16-4)5-9(6-12)7-14/h9,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyMOJDBYFFQWJBJN-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.30
Rot. Bonds4

About tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate

tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate (PubChem CID 178199950) has the molecular formula C12H23NO4 and a molecular weight of 245.32 g/mol. Its IUPAC name is tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate
PubChem CID178199950
Molecular FormulaC12H23NO4
Molecular Weight245.32 g/mol
Exact Mass245.16
IUPAC Nametert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate
SMILESCOC1(CNC(=O)OC(C)(C)C)CC(CO)C1
InChIInChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-8-12(16-4)5-9(6-12)7-14/h9,14H,5-8H2,1-4H3,(H,13,15)
InChIKeyMOJDBYFFQWJBJN-UHFFFAOYSA-N
XLogP1.30
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate (CID 178199950) is tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate is COC1(CNC(=O)OC(C)(C)C)CC(CO)C1.
What is the InChIKey of tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate?
The InChIKey is MOJDBYFFQWJBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO4/c1-11(2,3)17-10(15)13-8-12(16-4)5-9(6-12)7-14/h9,14H,5-8H2,1-4H3,(H,13,15).
What are the key properties of tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate?
tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate has a molecular weight of 245.32 g/mol, XLogP of 1.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3-(hydroxymethyl)-1-methoxycyclobutyl]methyl]carbamate is sourced from PubChem (CID 178199950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).