tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate

C10H20N2O3 — CID 156696624

IUPACtert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate
SMILES[2H]C([2H])([2H])C(C)(C(=O)NNC(=O)OC(C)(C)C)C([2H])([2H])[2H]
InChIInChI=1S/C10H20N2O3/c1-9(2,3)7(13)11-12-8(14)15-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)/i1D3,2D3
InChIKeyCFXLEMZNWBHNQV-WFGJKAKNSA-N
MW222.32 g/mol
LogP1.59
Rot. Bonds

About tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate

tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate (PubChem CID 156696624) has the molecular formula C10H20N2O3 and a molecular weight of 222.32 g/mol. Its IUPAC name is tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate
PubChem CID156696624
Molecular FormulaC10H20N2O3
Molecular Weight222.32 g/mol
Exact Mass222.19
IUPAC Nametert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate
SMILES[2H]C([2H])([2H])C(C)(C(=O)NNC(=O)OC(C)(C)C)C([2H])([2H])[2H]
InChIInChI=1S/C10H20N2O3/c1-9(2,3)7(13)11-12-8(14)15-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)/i1D3,2D3
InChIKeyCFXLEMZNWBHNQV-WFGJKAKNSA-N
XLogP1.59
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-(octylamino)carbamate
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tert-butyl N-(cyclododecanecarbonylamino)carbamate
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tert-butyl N-[(2-amino-3-hydroxypropanoyl)amino]carbamate
CID 130003468
tert-butyl N-[[14-[2-[(2-methylpropan-2-yl)oxycarbonyl]hydrazinyl]-14-oxotetradeca-6,8-diynoyl]amino]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate?
The IUPAC name of tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate (CID 156696624) is tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate.
What is the SMILES notation for tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate?
The canonical SMILES for tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate is [2H]C([2H])([2H])C(C)(C(=O)NNC(=O)OC(C)(C)C)C([2H])([2H])[2H].
What is the InChIKey of tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate?
The InChIKey is CFXLEMZNWBHNQV-WFGJKAKNSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-9(2,3)7(13)11-12-8(14)15-10(4,5)6/h1-6H3,(H,11,13)(H,12,14)/i1D3,2D3.
What are the key properties of tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate?
tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate has a molecular weight of 222.32 g/mol, XLogP of 1.59, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[3,3,3-trideuterio-2-methyl-2-(trideuteriomethyl)propanoyl]amino]carbamate is sourced from PubChem (CID 156696624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).