tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate

C9H19NO4 — CID 10845899

IUPACtert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate
SMILESCC(C)(C)OC(=O)NOC(C)(C)CO
InChIInChI=1S/C9H19NO4/c1-8(2,3)13-7(12)10-14-9(4,5)6-11/h11H,6H2,1-5H3,(H,10,12)
InChIKeyZOGLEOIAQNHQHA-UHFFFAOYSA-N
MW205.25 g/mol
LogP1.21
Rot. Bonds3

About tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate

tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate (PubChem CID 10845899) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate.

Molecular Properties

Compound Nametert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate
PubChem CID10845899
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Nametert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate
SMILESCC(C)(C)OC(=O)NOC(C)(C)CO
InChIInChI=1S/C9H19NO4/c1-8(2,3)13-7(12)10-14-9(4,5)6-11/h11H,6H2,1-5H3,(H,10,12)
InChIKeyZOGLEOIAQNHQHA-UHFFFAOYSA-N
XLogP1.21
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

tert-butyl N-[2-amino-3-hydroxy-2-(hydroxymethyl)propyl]carbamate
CID 154779852
tert-butyl N-[2,2-bis(hydroxymethyl)-3-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]carbamate
CID 12986877
tert-butyl N-(2-aminoethoxy)carbamate;hydrochloride
CID 135285194
[(2-methylpropan-2-yl)oxycarbonylamino] propanoate;hydrochloride
CID 23087927
tert-butyl N-[3-(hydroxymethyl)pentan-3-yl]carbamate
CID 62517962
tert-butyl N-ethylcarbamate;hydroxylamine
CID 21286916
tert-butyl N-(bromomethyl)carbamate
CID 20614913
tert-butyl N-(1-hydroxy-4-methylpentan-2-yl)oxycarbamate
CID 105492969
[(2-methylpropan-2-yl)oxycarbonylamino] hexadecanoate
CID 57188346
tert-butyl N-[(2S)-1-hydroxy-2-methyl-3-oxopentan-2-yl]carbamate
CID 144773480
tert-butyl N-bromocarbamate
CID 19029934
tert-butyl N-methylcarbamate;ethane
CID 142957488

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate?
The IUPAC name of tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate (CID 10845899) is tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate.
What is the SMILES notation for tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate?
The canonical SMILES for tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate is CC(C)(C)OC(=O)NOC(C)(C)CO.
What is the InChIKey of tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate?
The InChIKey is ZOGLEOIAQNHQHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-8(2,3)13-7(12)10-14-9(4,5)6-11/h11H,6H2,1-5H3,(H,10,12).
What are the key properties of tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate?
tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate has a molecular weight of 205.25 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1-hydroxy-2-methylpropan-2-yl)oxycarbamate is sourced from PubChem (CID 10845899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).