(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate

C11H14NO6S- — CID 2104038

IUPAC(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1
InChIInChI=1S/C11H15NO6S/c1-7(13)10(11(14)15)12-19(16,17)9-5-3-8(18-2)4-6-9/h3-7,10,12-13H,1-2H3,(H,14,15)/p-1/t7-,10+/m0/s1
InChIKeyVJAHSOIECXJUPQ-OIBJUYFYSA-M
MW288.30 g/mol
LogP-1.53
Rot. Bonds6

About (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate

(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate (PubChem CID 2104038) has the molecular formula C11H14NO6S- and a molecular weight of 288.30 g/mol. Its IUPAC name is (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate.

Molecular Properties

Compound Name(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
PubChem CID2104038
Molecular FormulaC11H14NO6S-
Molecular Weight288.30 g/mol
Exact Mass288.05
IUPAC Name(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
SMILESCOc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1
InChIInChI=1S/C11H15NO6S/c1-7(13)10(11(14)15)12-19(16,17)9-5-3-8(18-2)4-6-9/h3-7,10,12-13H,1-2H3,(H,14,15)/p-1/t7-,10+/m0/s1
InChIKeyVJAHSOIECXJUPQ-OIBJUYFYSA-M
XLogP-1.53
TPSA115.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 5-1.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate
CID 50906677
(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
CID 50907085
(2R,3R)-2-[(4-acetamidophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2325636
N-(2,4-dimethylpentan-3-yl)-4-methoxybenzenesulfonamide
CID 848381
N'-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanimidamide
CID 77038573
(2S,3R)-2-[(4-ethoxyphenyl)sulfonylamino]-3-hydroxybutanoic acid
CID 104935293
N-(1-hydrazinyl-1-oxopropan-2-yl)-4-methoxybenzenesulfonamide
CID 3351082
2-[[(2S)-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbutanoyl]-methylamino]propanoic acid
CID 119358741
(2R)-2-[[4-[(4-methoxybenzoyl)amino]phenyl]sulfonylamino]-3-methylbutanoic acid
CID 10363964
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2404775
[2-(2,5-dimethoxyphenyl)-2-oxoethyl] (2R,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-hydroxybutanoate
CID 2411284
(2S)-2-[(4-bromophenyl)sulfonylamino]-3-methylbutanoate
CID 6933555

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate?
The IUPAC name of (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate (CID 2104038) is (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate.
What is the SMILES notation for (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate?
The canonical SMILES for (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate is COc1ccc(S(=O)(=O)N[C@@H](C(=O)[O-])[C@H](C)O)cc1.
What is the InChIKey of (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate?
The InChIKey is VJAHSOIECXJUPQ-OIBJUYFYSA-M. The full InChI is InChI=1S/C11H15NO6S/c1-7(13)10(11(14)15)12-19(16,17)9-5-3-8(18-2)4-6-9/h3-7,10,12-13H,1-2H3,(H,14,15)/p-1/t7-,10+/m0/s1.
What are the key properties of (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate?
(2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate has a molecular weight of 288.30 g/mol, XLogP of -1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanoate is sourced from PubChem (CID 2104038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).