(1-deuterio-2-methylpropan-2-yl) carbamate

C5H11NO2 — CID 57106262

IUPAC(1-deuterio-2-methylpropan-2-yl) carbamate
SMILES[2H]CC(C)(C)OC(N)=O
InChIInChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)/i1D
InChIKeyLFKDJXLFVYVEFG-MICDWDOJSA-N
MW118.15 g/mol
LogP0.88
Rot. Bonds

About (1-deuterio-2-methylpropan-2-yl) carbamate

(1-deuterio-2-methylpropan-2-yl) carbamate (PubChem CID 57106262) has the molecular formula C5H11NO2 and a molecular weight of 118.15 g/mol. Its IUPAC name is (1-deuterio-2-methylpropan-2-yl) carbamate.

Molecular Properties

Compound Name(1-deuterio-2-methylpropan-2-yl) carbamate
PubChem CID57106262
Molecular FormulaC5H11NO2
Molecular Weight118.15 g/mol
Exact Mass118.09
IUPAC Name(1-deuterio-2-methylpropan-2-yl) carbamate
SMILES[2H]CC(C)(C)OC(N)=O
InChIInChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)/i1D
InChIKeyLFKDJXLFVYVEFG-MICDWDOJSA-N
XLogP0.88
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.15
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-deuterio-2-methylpropan-2-yl) carbamate?
The IUPAC name of (1-deuterio-2-methylpropan-2-yl) carbamate (CID 57106262) is (1-deuterio-2-methylpropan-2-yl) carbamate.
What is the SMILES notation for (1-deuterio-2-methylpropan-2-yl) carbamate?
The canonical SMILES for (1-deuterio-2-methylpropan-2-yl) carbamate is [2H]CC(C)(C)OC(N)=O.
What is the InChIKey of (1-deuterio-2-methylpropan-2-yl) carbamate?
The InChIKey is LFKDJXLFVYVEFG-MICDWDOJSA-N. The full InChI is InChI=1S/C5H11NO2/c1-5(2,3)8-4(6)7/h1-3H3,(H2,6,7)/i1D.
What are the key properties of (1-deuterio-2-methylpropan-2-yl) carbamate?
(1-deuterio-2-methylpropan-2-yl) carbamate has a molecular weight of 118.15 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-deuterio-2-methylpropan-2-yl) carbamate is sourced from PubChem (CID 57106262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).