(2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid

C8H14N2O5S — CID 107824113

IUPAC(2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid
SMILESCCC(C#N)S(=O)(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H14N2O5S/c1-2-6(5-9)16(14,15)10-7(3-4-11)8(12)13/h6-7,10-11H,2-4H2,1H3,(H,12,13)/t6?,7-/m1/s1
InChIKeyJEJDHCFXKSHPQA-COBSHVIPSA-N
MW250.28 g/mol
LogP-0.96
Rot. Bonds7

About (2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid

(2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid (PubChem CID 107824113) has the molecular formula C8H14N2O5S and a molecular weight of 250.28 g/mol. Its IUPAC name is (2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid.

Molecular Properties

Compound Name(2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid
PubChem CID107824113
Molecular FormulaC8H14N2O5S
Molecular Weight250.28 g/mol
Exact Mass250.06
IUPAC Name(2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid
SMILESCCC(C#N)S(=O)(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H14N2O5S/c1-2-6(5-9)16(14,15)10-7(3-4-11)8(12)13/h6-7,10-11H,2-4H2,1H3,(H,12,13)/t6?,7-/m1/s1
InChIKeyJEJDHCFXKSHPQA-COBSHVIPSA-N
XLogP-0.96
TPSA127.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.28
LogP ≤ 5-0.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-5-amino-2-(1-cyanopropylsulfonylamino)-5-oxopentanoic acid
CID 107830169
5-(1-cyanopropylsulfonylamino)-2-methylpentanoic acid
CID 104682866
(2R)-4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 107824107
4-hydroxy-2-[(1-methoxy-1-oxopropan-2-yl)sulfonylamino]butanoic acid
CID 54951469
(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 104933802
(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid
CID 107824076
(2R)-2-(1-cyanoethylsulfonylamino)-5-methoxy-5-oxopentanoic acid
CID 114005099
(2S)-4-hydroxy-2-(pyrrolidin-1-ylsulfonylamino)butanoic acid
CID 104934949
2-[(2-cyanophenyl)methylsulfonylamino]-4-hydroxybutanoic acid
CID 61244813
2-[(4-cyanophenyl)methylsulfonylamino]-4-hydroxybutanoic acid
CID 61243869
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 61244774
(2S)-4-hydroxy-2-(piperidin-1-ylsulfonylamino)butanoic acid
CID 104935080

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid?
The IUPAC name of (2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid (CID 107824113) is (2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid.
What is the SMILES notation for (2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid?
The canonical SMILES for (2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid is CCC(C#N)S(=O)(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid?
The InChIKey is JEJDHCFXKSHPQA-COBSHVIPSA-N. The full InChI is InChI=1S/C8H14N2O5S/c1-2-6(5-9)16(14,15)10-7(3-4-11)8(12)13/h6-7,10-11H,2-4H2,1H3,(H,12,13)/t6?,7-/m1/s1.
What are the key properties of (2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid?
(2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid has a molecular weight of 250.28 g/mol, XLogP of -0.96, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid is sourced from PubChem (CID 107824113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).