bis(trideuteriomethyl)carbamic acid

C3H7NO2 — CID 150107082

IUPACbis(trideuteriomethyl)carbamic acid
SMILES[2H]C([2H])([2H])N(C(=O)O)C([2H])([2H])[2H]
InChIInChI=1S/C3H7NO2/c1-4(2)3(5)6/h1-2H3,(H,5,6)/i1D3,2D3
InChIKeyDWLVWMUCHSLGSU-WFGJKAKNSA-N
MW95.13 g/mol
LogP0.23
Rot. Bonds2

About bis(trideuteriomethyl)carbamic acid

bis(trideuteriomethyl)carbamic acid (PubChem CID 150107082) has the molecular formula C3H7NO2 and a molecular weight of 95.13 g/mol. Its IUPAC name is bis(trideuteriomethyl)carbamic acid.

Molecular Properties

Compound Namebis(trideuteriomethyl)carbamic acid
PubChem CID150107082
Molecular FormulaC3H7NO2
Molecular Weight95.13 g/mol
Exact Mass95.09
IUPAC Namebis(trideuteriomethyl)carbamic acid
SMILES[2H]C([2H])([2H])N(C(=O)O)C([2H])([2H])[2H]
InChIInChI=1S/C3H7NO2/c1-4(2)3(5)6/h1-2H3,(H,5,6)/i1D3,2D3
InChIKeyDWLVWMUCHSLGSU-WFGJKAKNSA-N
XLogP0.23
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50095.13
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N,N-bis(trideuteriomethyl)propanamide
CID 155026740
dimethylcarbamic acid;ethane
CID 143338074
dimethylcarbamic acid;nickel
CID 87135907
N,2,2-trimethyl-N-(trideuteriomethyl)propanamide
CID 157366464
Sodium acetate-D3 99+ atom % D
CID 131873492
iodo(methyl)carbamic acid
CID 88640378
5-[[amino-[bis(trideuteriomethyl)amino]methylidene]amino]-2-oxopentanoic acid
CID 121487910
dimethylcarbamoyl(methyl)carbamic acid;hydrochloride
CID 88818109
(2S)-2-[bis(trideuteriomethyl)amino]-3,3-dimethylbutanoic acid
CID 171714004
bis(N,N-dimethylacetamide);hydron;bromide;dihydrobromide
CID 173055527
dimethoxysilane;bis(dimethylcarbamic acid)
CID 173419025
acetic acid;phosphonous acid
CID 87496831

Frequently Asked Questions

What is the IUPAC name of bis(trideuteriomethyl)carbamic acid?
The IUPAC name of bis(trideuteriomethyl)carbamic acid (CID 150107082) is bis(trideuteriomethyl)carbamic acid.
What is the SMILES notation for bis(trideuteriomethyl)carbamic acid?
The canonical SMILES for bis(trideuteriomethyl)carbamic acid is [2H]C([2H])([2H])N(C(=O)O)C([2H])([2H])[2H].
What is the InChIKey of bis(trideuteriomethyl)carbamic acid?
The InChIKey is DWLVWMUCHSLGSU-WFGJKAKNSA-N. The full InChI is InChI=1S/C3H7NO2/c1-4(2)3(5)6/h1-2H3,(H,5,6)/i1D3,2D3.
What are the key properties of bis(trideuteriomethyl)carbamic acid?
bis(trideuteriomethyl)carbamic acid has a molecular weight of 95.13 g/mol, XLogP of 0.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for bis(trideuteriomethyl)carbamic acid is sourced from PubChem (CID 150107082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).