2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid

C8H15NO4 — CID 121439864

IUPAC2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
SMILES[2H]C([2H])([2H])N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)/i4D3
InChIKeyYRXIMPFOTQVOHG-GKOSEXJESA-N
MW192.23 g/mol
LogP0.94
Rot. Bonds3

About 2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid

2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid (PubChem CID 121439864) has the molecular formula C8H15NO4 and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid.

Molecular Properties

Compound Name2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
PubChem CID121439864
Molecular FormulaC8H15NO4
Molecular Weight192.23 g/mol
Exact Mass192.12
IUPAC Name2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid
SMILES[2H]C([2H])([2H])N(CC(=O)O)C(=O)OC(C)(C)C
InChIInChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)/i4D3
InChIKeyYRXIMPFOTQVOHG-GKOSEXJESA-N
XLogP0.94
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[methyl(2-methylpropan-2-yloxycarbonyl)amino]acetic acid
CID 171465431
2-[cyclobutyl-(1-deuterio-2-methylpropan-2-yl)oxycarbonylamino]acetic acid
CID 156633495
tert-butyl N-(2-hydroxy-3-methylbut-2-enyl)-N-methylcarbamate
CID 91462214
2-[(2-methylcyclopropyl)-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 91184991
magnesium;tert-butyl N-ethyl-N-methylcarbamate;bromide
CID 166521471
2-[cyclooctyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 22476048
2-[ethenyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 18784338
potassium 2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetate
CID 140930688
tert-butyl N-[(2-bromophenyl)methyl]-N-(trideuteriomethyl)carbamate
CID 155291914
2-[2-cyclopentylideneethyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]acetic acid
CID 174388084
dimethyl 2-[1-hydroxy-2-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]ethylidene]propanedioate
CID 54691513
tert-butyl N-(2-hydrazinyl-2-oxoethyl)-N-methylcarbamate
CID 56698929

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid?
The IUPAC name of 2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid (CID 121439864) is 2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid.
What is the SMILES notation for 2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid?
The canonical SMILES for 2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid is [2H]C([2H])([2H])N(CC(=O)O)C(=O)OC(C)(C)C.
What is the InChIKey of 2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid?
The InChIKey is YRXIMPFOTQVOHG-GKOSEXJESA-N. The full InChI is InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)9(4)5-6(10)11/h5H2,1-4H3,(H,10,11)/i4D3.
What are the key properties of 2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid?
2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid has a molecular weight of 192.23 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpropan-2-yl)oxycarbonyl-(trideuteriomethyl)amino]acetic acid is sourced from PubChem (CID 121439864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).