(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid

C12H15NO7S — CID 104933807

IUPAC(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid
SMILESCOC(=O)c1ccccc1S(=O)(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H15NO7S/c1-20-12(17)8-4-2-3-5-10(8)21(18,19)13-9(6-7-14)11(15)16/h2-5,9,13-14H,6-7H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyYUXBWTYJEWRJHS-SECBINFHSA-N
MW317.32 g/mol
LogP-0.41
Rot. Bonds7

About (2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid

(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid (PubChem CID 104933807) has the molecular formula C12H15NO7S and a molecular weight of 317.32 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid
PubChem CID104933807
Molecular FormulaC12H15NO7S
Molecular Weight317.32 g/mol
Exact Mass317.06
IUPAC Name(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid
SMILESCOC(=O)c1ccccc1S(=O)(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C12H15NO7S/c1-20-12(17)8-4-2-3-5-10(8)21(18,19)13-9(6-7-14)11(15)16/h2-5,9,13-14H,6-7H2,1H3,(H,15,16)/t9-/m1/s1
InChIKeyYUXBWTYJEWRJHS-SECBINFHSA-N
XLogP-0.41
TPSA130.00 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.32
LogP ≤ 5-0.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-2-[(2-bromophenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104935022
methyl 2-[(2-hydroxy-1-phenylethyl)sulfamoyl]benzoate
CID 3447772
methyl 2-(pentan-2-ylsulfamoyl)benzoate
CID 3778336
methyl 2-(hexan-3-ylsulfamoyl)benzoate
CID 103833550
methyl 2-[(1-hydroxy-4-methylpentan-2-yl)sulfamoyl]benzoate
CID 61247386
2-[(2,5-dimethoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244972
4-[(2-methoxycarbonylphenyl)sulfonylamino]-4-oxobutanoic acid
CID 101190058
methyl 2-(phenylsulfamoyl)benzoate
CID 7939210
methyl 2-(pent-4-en-2-ylsulfamoyl)benzoate
CID 103833670
4-methoxy-2-[(2-methoxyphenyl)sulfonylamino]butanoic acid
CID 62479342
(2R)-4-hydroxy-2-(quinolin-5-ylsulfonylamino)butanoic acid
CID 104933783
methyl 2-(4-ethylsulfanylbutan-2-ylsulfamoyl)benzoate
CID 103836477

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid (CID 104933807) is (2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid is COC(=O)c1ccccc1S(=O)(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid?
The InChIKey is YUXBWTYJEWRJHS-SECBINFHSA-N. The full InChI is InChI=1S/C12H15NO7S/c1-20-12(17)8-4-2-3-5-10(8)21(18,19)13-9(6-7-14)11(15)16/h2-5,9,13-14H,6-7H2,1H3,(H,15,16)/t9-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid?
(2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid has a molecular weight of 317.32 g/mol, XLogP of -0.41, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[(2-methoxycarbonylphenyl)sulfonylamino]butanoic acid is sourced from PubChem (CID 104933807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).