(2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid

C7H13NO7S — CID 107835237

IUPAC(2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
SMILESCOC(=O)CCS(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H13NO7S/c1-15-6(10)2-3-16(13,14)8-4-5(9)7(11)12/h5,8-9H,2-4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyVIKVUWXMMRDMCR-YFKPBYRVSA-N
MW255.25 g/mol
LogP-2.09
Rot. Bonds7

About (2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid

(2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid (PubChem CID 107835237) has the molecular formula C7H13NO7S and a molecular weight of 255.25 g/mol. Its IUPAC name is (2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid.

Molecular Properties

Compound Name(2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
PubChem CID107835237
Molecular FormulaC7H13NO7S
Molecular Weight255.25 g/mol
Exact Mass255.04
IUPAC Name(2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
SMILESCOC(=O)CCS(=O)(=O)NC[C@H](O)C(=O)O
InChIInChI=1S/C7H13NO7S/c1-15-6(10)2-3-16(13,14)8-4-5(9)7(11)12/h5,8-9H,2-4H2,1H3,(H,11,12)/t5-/m0/s1
InChIKeyVIKVUWXMMRDMCR-YFKPBYRVSA-N
XLogP-2.09
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 5-2.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-hydroxy-3-[(4-methoxy-4-oxobutyl)sulfonylamino]propanoic acid
CID 104935864
2-[[(3-methoxy-3-oxopropyl)sulfonylamino]methyl]-4,4-dimethylpentanoic acid
CID 107474833
methyl 3-(2-methoxypropylsulfamoyl)propanoate
CID 102697663
methyl 3-(3-hydroxybutylsulfamoyl)propanoate
CID 64912074
(2S)-3-hydroxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid
CID 61458313
methyl 4-(2,3-dihydroxypropylsulfamoyl)butanoate
CID 66177756
methyl 3-(propan-2-ylsulfamoyl)propanoate
CID 64590435
3-(2-hydroxypropylsulfamoyl)propanoic acid
CID 43499066
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720
4-methoxy-2-[(3-methoxy-3-oxopropyl)sulfonylamino]butanoic acid
CID 62480752
methyl 4-(2,2-diethoxyethylsulfamoyl)butanoate
CID 79547273
methyl 3-[3-(3-methoxy-3-oxopropyl)sulfonylpropylsulfonyl]propanoate
CID 102249368

Frequently Asked Questions

What is the IUPAC name of (2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid?
The IUPAC name of (2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid (CID 107835237) is (2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid.
What is the SMILES notation for (2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid?
The canonical SMILES for (2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid is COC(=O)CCS(=O)(=O)NC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid?
The InChIKey is VIKVUWXMMRDMCR-YFKPBYRVSA-N. The full InChI is InChI=1S/C7H13NO7S/c1-15-6(10)2-3-16(13,14)8-4-5(9)7(11)12/h5,8-9H,2-4H2,1H3,(H,11,12)/t5-/m0/s1.
What are the key properties of (2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid?
(2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid has a molecular weight of 255.25 g/mol, XLogP of -2.09, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-hydroxy-3-[(3-methoxy-3-oxopropyl)sulfonylamino]propanoic acid is sourced from PubChem (CID 107835237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).