3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid

C7H15NO5S — CID 103240234

IUPAC3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid
SMILESCOCC(NCCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO5S/c1-13-5-6(7(9)10)8-3-4-14(2,11)12/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyPMYUPVWCAGVGJK-UHFFFAOYSA-N
MW225.27 g/mol
LogP-1.28
Rot. Bonds7

About 3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid

3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid (PubChem CID 103240234) has the molecular formula C7H15NO5S and a molecular weight of 225.27 g/mol. Its IUPAC name is 3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid.

Molecular Properties

Compound Name3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid
PubChem CID103240234
Molecular FormulaC7H15NO5S
Molecular Weight225.27 g/mol
Exact Mass225.07
IUPAC Name3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid
SMILESCOCC(NCCS(C)(=O)=O)C(=O)O
InChIInChI=1S/C7H15NO5S/c1-13-5-6(7(9)10)8-3-4-14(2,11)12/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyPMYUPVWCAGVGJK-UHFFFAOYSA-N
XLogP-1.28
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.27
LogP ≤ 5-1.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-amino-4-methylsulfonylbutanoyl)amino]-3-methoxypropanoic acid
CID 81078355
3-methoxy-2-(2-propan-2-yloxyethylamino)propanoic acid
CID 103266484
(2S)-2-(ethylamino)-3-methoxypropanoic acid
CID 149367077
2-[2-(carbamoylamino)ethylamino]-3-methoxypropanoic acid
CID 103262412
5-methoxy-2-(2-methylsulfonylethylcarbamoylamino)pentanoic acid
CID 81085605
2-[(3-hydroxy-2-methylpropyl)amino]-3-methoxypropanoic acid
CID 103253859
3-methoxy-2-[2-(2-methylprop-2-enoxy)ethylamino]propanoic acid
CID 103268606
3-methoxy-2-(2-methylsulfonylpropanoylamino)propanoic acid
CID 104517760
3-methoxy-2-(2-thiophen-2-ylethylamino)propanoic acid
CID 103235533
2-[(2-amino-4-methylsulfonylbutanoyl)amino]-5-methoxypentanoic acid
CID 81078633
(2S)-4-methoxy-2-(2-methylsulfonylethylcarbamoylamino)-4-oxobutanoic acid
CID 55205376
2-[2-[cyclopropyl(methyl)amino]ethylamino]-3-methoxypropanoic acid
CID 103250208

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid?
The IUPAC name of 3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid (CID 103240234) is 3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid.
What is the SMILES notation for 3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid?
The canonical SMILES for 3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid is COCC(NCCS(C)(=O)=O)C(=O)O.
What is the InChIKey of 3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid?
The InChIKey is PMYUPVWCAGVGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO5S/c1-13-5-6(7(9)10)8-3-4-14(2,11)12/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid?
3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid has a molecular weight of 225.27 g/mol, XLogP of -1.28, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(2-methylsulfonylethylamino)propanoic acid is sourced from PubChem (CID 103240234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).