tert-butyl N-(trideuteriomethyl)carbamate

C6H13NO2 — CID 154635979

IUPACtert-butyl N-(trideuteriomethyl)carbamate
SMILES[2H]C([2H])([2H])NC(=O)OC(C)(C)C
InChIInChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8)/i4D3
InChIKeyJHLVEBNWCCKSGY-GKOSEXJESA-N
MW134.19 g/mol
LogP1.14
Rot. Bonds1

About tert-butyl N-(trideuteriomethyl)carbamate

tert-butyl N-(trideuteriomethyl)carbamate (PubChem CID 154635979) has the molecular formula C6H13NO2 and a molecular weight of 134.19 g/mol. Its IUPAC name is tert-butyl N-(trideuteriomethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(trideuteriomethyl)carbamate
PubChem CID154635979
Molecular FormulaC6H13NO2
Molecular Weight134.19 g/mol
Exact Mass134.11
IUPAC Nametert-butyl N-(trideuteriomethyl)carbamate
SMILES[2H]C([2H])([2H])NC(=O)OC(C)(C)C
InChIInChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8)/i4D3
InChIKeyJHLVEBNWCCKSGY-GKOSEXJESA-N
XLogP1.14
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.19
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

tert-Butyl methylcarbamate
CID 527635
Tert-butyl N-ethylcarbamate
CID 11198486
Carbamic acid, methyl-, 1-methylethyl ester
CID 82322
Propyl N-methyl carbamate
CID 527633
tert-Butyl formylcarbamate
CID 11958038
N-aminomethylcarbamic acid tert-butyl ester
CID 192025
(((tert-Butoxycarbonyl)amino)methyl)trifluoroborate
CID 53483532
(1,1,1-trifluoro-2-methylpropan-2-yl) N-methylcarbamate
CID 89147753
tert-butyl N-(fluoromethyl)carbamate
CID 90274250
tert-butyl N-(difluoroboranylmethyl)carbamate
CID 140757532
(1-fluoro-2-methylpropan-2-yl) N-methylcarbamate
CID 145054262
(3-fluoro-2-methylbutan-2-yl) N-methylcarbamate
CID 164028222

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(trideuteriomethyl)carbamate?
The IUPAC name of tert-butyl N-(trideuteriomethyl)carbamate (CID 154635979) is tert-butyl N-(trideuteriomethyl)carbamate.
What is the SMILES notation for tert-butyl N-(trideuteriomethyl)carbamate?
The canonical SMILES for tert-butyl N-(trideuteriomethyl)carbamate is [2H]C([2H])([2H])NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-(trideuteriomethyl)carbamate?
The InChIKey is JHLVEBNWCCKSGY-GKOSEXJESA-N. The full InChI is InChI=1S/C6H13NO2/c1-6(2,3)9-5(8)7-4/h1-4H3,(H,7,8)/i4D3.
What are the key properties of tert-butyl N-(trideuteriomethyl)carbamate?
tert-butyl N-(trideuteriomethyl)carbamate has a molecular weight of 134.19 g/mol, XLogP of 1.14, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(trideuteriomethyl)carbamate is sourced from PubChem (CID 154635979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).