(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid

C8H15NO7S — CID 107835309

IUPAC(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
SMILESCCOC(=O)CS(=O)(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C8H15NO7S/c1-2-16-7(11)5-17(14,15)9-4-3-6(10)8(12)13/h6,9-10H,2-5H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyJWNMENOHIBCXCP-LURJTMIESA-N
MW269.27 g/mol
LogP-1.70
Rot. Bonds8

About (2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid

(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid (PubChem CID 107835309) has the molecular formula C8H15NO7S and a molecular weight of 269.27 g/mol. Its IUPAC name is (2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid.

Molecular Properties

Compound Name(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
PubChem CID107835309
Molecular FormulaC8H15NO7S
Molecular Weight269.27 g/mol
Exact Mass269.06
IUPAC Name(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid
SMILESCCOC(=O)CS(=O)(=O)NCC[C@H](O)C(=O)O
InChIInChI=1S/C8H15NO7S/c1-2-16-7(11)5-17(14,15)9-4-3-6(10)8(12)13/h6,9-10H,2-5H2,1H3,(H,12,13)/t6-/m0/s1
InChIKeyJWNMENOHIBCXCP-LURJTMIESA-N
XLogP-1.70
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 5-1.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(2-ethoxy-2-oxoethyl)sulfonylamino]propanoate
CID 61457245
ethyl 2-(2-methoxyethylsulfamoyl)acetate
CID 62544965
ethyl 2-(3-sulfamoylpropylsulfamoyl)acetate
CID 61457286
ethyl 2-[(4-hydroxy-2-methylbutyl)sulfamoyl]acetate
CID 66108874
5-amino-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]-5-oxopentanoic acid
CID 61456673
(2S)-2-hydroxy-4-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid
CID 104933998
ethyl 2-[(3-amino-2,2-difluoropropyl)sulfamoyl]acetate
CID 114383986
4-(tert-butylsulfamoylamino)-2-hydroxybutanoic acid
CID 107835294
ethyl 3-(chloromethylsulfonylamino)propanoate
CID 63664767
ethyl 2-[(1-hydroxy-4,4-dimethylpentan-3-yl)sulfamoyl]acetate
CID 113317141
ethyl 2-[(1-aminocyclohexyl)methylsulfamoyl]acetate
CID 54952527
ethyl 2-(3-oxopentan-2-ylsulfamoyl)acetate
CID 64993843

Frequently Asked Questions

What is the IUPAC name of (2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid?
The IUPAC name of (2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid (CID 107835309) is (2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid.
What is the SMILES notation for (2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid?
The canonical SMILES for (2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid is CCOC(=O)CS(=O)(=O)NCC[C@H](O)C(=O)O.
What is the InChIKey of (2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid?
The InChIKey is JWNMENOHIBCXCP-LURJTMIESA-N. The full InChI is InChI=1S/C8H15NO7S/c1-2-16-7(11)5-17(14,15)9-4-3-6(10)8(12)13/h6,9-10H,2-5H2,1H3,(H,12,13)/t6-/m0/s1.
What are the key properties of (2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid?
(2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid has a molecular weight of 269.27 g/mol, XLogP of -1.70, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-4-[(2-ethoxy-2-oxoethyl)sulfonylamino]-2-hydroxybutanoic acid is sourced from PubChem (CID 107835309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).