(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid

C9H17NO6S — CID 104933880

IUPAC(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid
SMILESO=C(O)[C@@H](CCO)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H17NO6S/c11-4-1-8(9(12)13)10-17(14,15)7-2-5-16-6-3-7/h7-8,10-11H,1-6H2,(H,12,13)/t8-/m1/s1
InChIKeyIVJYXLPJQMCBGI-MRVPVSSYSA-N
MW267.30 g/mol
LogP-1.08
Rot. Bonds6

About (2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid

(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid (PubChem CID 104933880) has the molecular formula C9H17NO6S and a molecular weight of 267.30 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid
PubChem CID104933880
Molecular FormulaC9H17NO6S
Molecular Weight267.30 g/mol
Exact Mass267.08
IUPAC Name(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid
SMILESO=C(O)[C@@H](CCO)NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C9H17NO6S/c11-4-1-8(9(12)13)10-17(14,15)7-2-5-16-6-3-7/h7-8,10-11H,1-6H2,(H,12,13)/t8-/m1/s1
InChIKeyIVJYXLPJQMCBGI-MRVPVSSYSA-N
XLogP-1.08
TPSA112.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 5-1.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methylsulfanyl-2-(oxan-4-ylsulfonylamino)butanoic acid
CID 55031614
2-[(1,1-dioxothian-4-yl)sulfonylamino]-4-hydroxybutanoic acid
CID 62085300
4-amino-2-(oxan-4-ylsulfonylamino)-4-oxobutanoic acid
CID 62049157
(2S)-2-(oxan-4-ylsulfonylamino)-3-phenylpropanoic acid
CID 62048619
2-(cyclopentylsulfonylamino)-3-hydroxypropanoic acid
CID 105360687
(2R)-2-(cyclopropylsulfonylamino)-4-methylpentanoic acid
CID 78996641
2-methyl-3-(oxan-4-ylsulfonylamino)propanoic acid
CID 62675881
(2R)-4-hydroxy-2-(oxan-4-ylcarbamoylamino)butanoic acid
CID 107826347
(2R)-4-hydroxy-2-(oxolane-3-carbonylamino)butanoic acid
CID 107823475
(2S)-2-(cyclopropylsulfonylamino)-4-methoxy-4-oxobutanoic acid
CID 64553878
2-(cyclopentylsulfonylamino)-4-methoxybutanoic acid
CID 105360794
(2R)-2-(cyclopentylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005100

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid (CID 104933880) is (2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid is O=C(O)[C@@H](CCO)NS(=O)(=O)C1CCOCC1.
What is the InChIKey of (2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid?
The InChIKey is IVJYXLPJQMCBGI-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H17NO6S/c11-4-1-8(9(12)13)10-17(14,15)7-2-5-16-6-3-7/h7-8,10-11H,1-6H2,(H,12,13)/t8-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid?
(2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid has a molecular weight of 267.30 g/mol, XLogP of -1.08, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-(oxan-4-ylsulfonylamino)butanoic acid is sourced from PubChem (CID 104933880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).