methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate

C5H11NO3 — CID 170585123

IUPACmethyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate
SMILES[2H]C([2H])([2H])OC[C@H](N)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-8-3-4(6)5(7)9-2/h4H,3,6H2,1-2H3/t4-/m0/s1/i1D3
InChIKeyYDZUJIKUFFJJBR-OSIBIXDNSA-N
MW136.17 g/mol
LogP-0.87
Rot. Bonds4

About methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate

methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate (PubChem CID 170585123) has the molecular formula C5H11NO3 and a molecular weight of 136.17 g/mol. Its IUPAC name is methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate.

Molecular Properties

Compound Namemethyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate
PubChem CID170585123
Molecular FormulaC5H11NO3
Molecular Weight136.17 g/mol
Exact Mass136.09
IUPAC Namemethyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate
SMILES[2H]C([2H])([2H])OC[C@H](N)C(=O)OC
InChIInChI=1S/C5H11NO3/c1-8-3-4(6)5(7)9-2/h4H,3,6H2,1-2H3/t4-/m0/s1/i1D3
InChIKeyYDZUJIKUFFJJBR-OSIBIXDNSA-N
XLogP-0.87
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.17
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-amino-3-methoxypropanoate
CID 11182627
methyl 2-amino-3-hydroxypropanoate;hydrochloride
CID 517373
bis(methyl (2S)-2-aminobutanoate);dihydrochloride
CID 174939060
methyl (2S)-2-amino-3-chloropropanoate;hydrochloride
CID 13050342
methyl (2S)-2-amino-5,5,5-trideuterio-4-fluoro-4-(trideuteriomethyl)pentanoate;hydrochloride
CID 141482288
methyl (2S)-2-amino-3-hydroxypropanoate
CID 2723731
methyl (2R)-2-amino-3-methylsulfanylpropanoate;hydrochloride
CID 2763147
ethyl (2S)-2-amino-3-methoxypropanoate
CID 55285113
methyl (2R)-2,4-diaminobutanoate;dihydrochloride
CID 155920841
methyl 2-amino-5,5-dimethyl-4-oxohexanoate;hydrochloride
CID 105481491
methyl 2-amino-3-selanylpropanoate
CID 174947260
methyl (2R)-2-amino-3-[[(2R)-2-amino-3-methoxy-3-oxopropyl]ditellanyl]propanoate
CID 10813791

Frequently Asked Questions

What is the IUPAC name of methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate?
The IUPAC name of methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate (CID 170585123) is methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate.
What is the SMILES notation for methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate?
The canonical SMILES for methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate is [2H]C([2H])([2H])OC[C@H](N)C(=O)OC.
What is the InChIKey of methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate?
The InChIKey is YDZUJIKUFFJJBR-OSIBIXDNSA-N. The full InChI is InChI=1S/C5H11NO3/c1-8-3-4(6)5(7)9-2/h4H,3,6H2,1-2H3/t4-/m0/s1/i1D3.
What are the key properties of methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate?
methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate has a molecular weight of 136.17 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2S)-2-amino-3-(trideuteriomethoxy)propanoate is sourced from PubChem (CID 170585123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).