[3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate

C10H19NO4 — CID 140676419

IUPAC[3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(O)(CO)C1
InChIInChI=1S/C10H19NO4/c1-9(2,3)11-8(13)15-7-4-10(14,5-7)6-12/h7,12,14H,4-6H2,1-3H3,(H,11,13)
InChIKeyBIVZGISOBRBQGL-UHFFFAOYSA-N
MW217.26 g/mol
LogP0.40
Rot. Bonds2

About [3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate

[3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate (PubChem CID 140676419) has the molecular formula C10H19NO4 and a molecular weight of 217.26 g/mol. Its IUPAC name is [3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
PubChem CID140676419
Molecular FormulaC10H19NO4
Molecular Weight217.26 g/mol
Exact Mass217.13
IUPAC Name[3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CC(O)(CO)C1
InChIInChI=1S/C10H19NO4/c1-9(2,3)11-8(13)15-7-4-10(14,5-7)6-12/h7,12,14H,4-6H2,1-3H3,(H,11,13)
InChIKeyBIVZGISOBRBQGL-UHFFFAOYSA-N
XLogP0.40
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 50.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

[3-fluoro-1-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
CID 174666913
(3-hydroxycyclobutyl)methyl N-tert-butylcarbamate
CID 68709622
Tert-butyl 1-(hydroxymethyl)-3-methoxycyclobutylcarbamate
CID 69927702
[(2S)-1-hydroxy-4-methoxy-4-methylpentan-2-yl] N-tert-butylcarbamate
CID 87303099
(1-hydroxy-4-methoxy-4-methylpentan-2-yl) N-tert-butylcarbamate
CID 87303100
(3-hydroxycyclobutyl) N-tert-butylcarbamate
CID 89699633
tert-butyl N-[3-butoxy-1-(hydroxymethyl)cyclobutyl]carbamate
CID 90323048
4-hydroxypentyl N-tert-butylcarbamate
CID 90839711
[4-(hydroxymethyl)oxan-4-yl] N-tert-butylcarbamate
CID 91113516
(1,3-dihydroxy-3-methylbutan-2-yl) N-tert-butylcarbamate
CID 140875404
[3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate
CID 140896469
(4-hydroxy-2-methylpentan-2-yl) N-tert-butylcarbamate
CID 141116267

Frequently Asked Questions

What is the IUPAC name of [3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The IUPAC name of [3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate (CID 140676419) is [3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate.
What is the SMILES notation for [3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The canonical SMILES for [3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CC(O)(CO)C1.
What is the InChIKey of [3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
The InChIKey is BIVZGISOBRBQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO4/c1-9(2,3)11-8(13)15-7-4-10(14,5-7)6-12/h7,12,14H,4-6H2,1-3H3,(H,11,13).
What are the key properties of [3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate?
[3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate has a molecular weight of 217.26 g/mol, XLogP of 0.40, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-hydroxy-3-(hydroxymethyl)cyclobutyl] N-tert-butylcarbamate is sourced from PubChem (CID 140676419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).