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

C7H15NO6S — CID 104936769

IUPAC2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
SMILESCOCCS(=O)(=O)NCC(OC)C(=O)O
InChIInChI=1S/C7H15NO6S/c1-13-3-4-15(11,12)8-5-6(14-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyLUBROGILRDQCMN-UHFFFAOYSA-N
MW241.26 g/mol
LogP-1.35
Rot. Bonds8

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

2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid (PubChem CID 104936769) has the molecular formula C7H15NO6S and a molecular weight of 241.26 g/mol. Its IUPAC name is 2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid.

Molecular Properties

Compound Name2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
PubChem CID104936769
Molecular FormulaC7H15NO6S
Molecular Weight241.26 g/mol
Exact Mass241.06
IUPAC Name2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid
SMILESCOCCS(=O)(=O)NCC(OC)C(=O)O
InChIInChI=1S/C7H15NO6S/c1-13-3-4-15(11,12)8-5-6(14-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10)
InChIKeyLUBROGILRDQCMN-UHFFFAOYSA-N
XLogP-1.35
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.26
LogP ≤ 5-1.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methoxy-3-(3-methoxypropylsulfonylamino)propanoic acid
CID 104936720
2-methoxy-3-(propylsulfonylamino)propanoic acid
CID 104936724
2-methoxy-N-(2-methoxypropyl)ethanesulfonamide
CID 102697513
methyl 2-chloro-3-(2-methoxyethylsulfonylamino)propanoate
CID 103493525
5-(2-methoxyethylsulfonylamino)-4-methylpentanoic acid
CID 82684266
4-(2-methoxyethylsulfonylamino)-2-methylbutanoic acid
CID 80540283
3-(cyclohexylmethylsulfonylamino)-2-methoxypropanoic acid
CID 104936692
2-methoxy-3-(propylsulfamoylamino)propanoic acid
CID 106108270
N-(3-amino-2-methylpropyl)-2-methoxyethanesulfonamide
CID 62666694
2-methoxy-N-[2-methyl-3-(methylamino)propyl]ethanesulfonamide
CID 115302783
3-(3-methoxypropylsulfonylamino)-2-phenylpropanoic acid
CID 63290449
N'-hydroxy-3-(2-methoxyethylsulfonylamino)-2-methylpropanimidamide
CID 76953299

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid?
The IUPAC name of 2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid (CID 104936769) is 2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid.
What is the SMILES notation for 2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid?
The canonical SMILES for 2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid is COCCS(=O)(=O)NCC(OC)C(=O)O.
What is the InChIKey of 2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid?
The InChIKey is LUBROGILRDQCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO6S/c1-13-3-4-15(11,12)8-5-6(14-2)7(9)10/h6,8H,3-5H2,1-2H3,(H,9,10).
What are the key properties of 2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid?
2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid has a molecular weight of 241.26 g/mol, XLogP of -1.35, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(2-methoxyethylsulfonylamino)propanoic acid is sourced from PubChem (CID 104936769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).