2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid

C7H13NO6S — CID 61455040

IUPAC2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid
SMILESCOC(=O)[C@H](C)NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C7H13NO6S/c1-4(7(11)14-3)8-15(12,13)5(2)6(9)10/h4-5,8H,1-3H3,(H,9,10)/t4-,5?/m0/s1
InChIKeySULWVOYJTALGKA-ROLXFIACSA-N
MW239.25 g/mol
LogP-1.06
Rot. Bonds5

About 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid

2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid (PubChem CID 61455040) has the molecular formula C7H13NO6S and a molecular weight of 239.25 g/mol. Its IUPAC name is 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid.

Molecular Properties

Compound Name2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid
PubChem CID61455040
Molecular FormulaC7H13NO6S
Molecular Weight239.25 g/mol
Exact Mass239.05
IUPAC Name2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid
SMILESCOC(=O)[C@H](C)NS(=O)(=O)C(C)C(=O)O
InChIInChI=1S/C7H13NO6S/c1-4(7(11)14-3)8-15(12,13)5(2)6(9)10/h4-5,8H,1-3H3,(H,9,10)/t4-,5?/m0/s1
InChIKeySULWVOYJTALGKA-ROLXFIACSA-N
XLogP-1.06
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 5-1.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]propanoate
CID 55138401
(2S,3R)-3-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 104965150
(2R)-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 103927053
2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]-3,3-dimethylbutanoic acid
CID 54951162
2-(dicyclopropylmethylsulfamoyl)propanoic acid
CID 61482345
2-(1-cyclopropylethylsulfamoyl)propanoic acid
CID 61454821
2-(pentan-3-ylsulfamoyl)propanoic acid
CID 61454293
(2R)-4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 107824107
4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 54951469
2-[[(1R)-1-cyclopentylethyl]sulfamoyl]propanoic acid
CID 81386001
methyl 2-(bromomethylsulfonylamino)propanoate
CID 83085959
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid?
The IUPAC name of 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid (CID 61455040) is 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid.
What is the SMILES notation for 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid?
The canonical SMILES for 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid is COC(=O)[C@H](C)NS(=O)(=O)C(C)C(=O)O.
What is the InChIKey of 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid?
The InChIKey is SULWVOYJTALGKA-ROLXFIACSA-N. The full InChI is InChI=1S/C7H13NO6S/c1-4(7(11)14-3)8-15(12,13)5(2)6(9)10/h4-5,8H,1-3H3,(H,9,10)/t4-,5?/m0/s1.
What are the key properties of 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid?
2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid has a molecular weight of 239.25 g/mol, XLogP of -1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-1-methoxy-1-oxopropan-2-yl]sulfamoyl]propanoic acid is sourced from PubChem (CID 61455040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).