(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

C8H18N2O5S — CID 104933802

IUPAC(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCC(C)N(C)S(=O)(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H18N2O5S/c1-6(2)10(3)16(14,15)9-7(4-5-11)8(12)13/h6-7,9,11H,4-5H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyOTCUYGGNIFMKQB-SSDOTTSWSA-N
MW254.31 g/mol
LogP-1.00
Rot. Bonds7

About (2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid

(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (PubChem CID 104933802) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is (2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.

Molecular Properties

Compound Name(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
PubChem CID104933802
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
SMILESCC(C)N(C)S(=O)(=O)N[C@H](CCO)C(=O)O
InChIInChI=1S/C8H18N2O5S/c1-6(2)10(3)16(14,15)9-7(4-5-11)8(12)13/h6-7,9,11H,4-5H2,1-3H3,(H,12,13)/t7-/m1/s1
InChIKeyOTCUYGGNIFMKQB-SSDOTTSWSA-N
XLogP-1.00
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid
CID 61455877
2-(dimethylsulfamoylamino)pentanoic acid
CID 43631196
(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)-1-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]propane
CID 79028078
(2R)-4-hydroxy-2-(trifluoromethylsulfonylamino)butanoic acid
CID 107824076
(2S)-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanoic acid
CID 54947569
(2R)-2-(1-cyanopropylsulfonylamino)-4-hydroxybutanoic acid
CID 107824113
(2S)-1-hydroxy-3-methyl-2-[[methyl(propan-2-yl)sulfamoyl]amino]butane
CID 79255703
2-[[methyl(propan-2-yl)sulfamoyl]amino]pentanethioamide
CID 61454058
(2S)-4-hydroxy-2-(2-phenylpropylsulfonylamino)butanoic acid
CID 104935033
2-[(1-carboxy-3-hydroxypropyl)amino]-4-hydroxybutanoic acid
CID 155788210

Frequently Asked Questions

What is the IUPAC name of (2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The IUPAC name of (2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid (CID 104933802) is (2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid.
What is the SMILES notation for (2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The canonical SMILES for (2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is CC(C)N(C)S(=O)(=O)N[C@H](CCO)C(=O)O.
What is the InChIKey of (2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
The InChIKey is OTCUYGGNIFMKQB-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-6(2)10(3)16(14,15)9-7(4-5-11)8(12)13/h6-7,9,11H,4-5H2,1-3H3,(H,12,13)/t7-/m1/s1.
What are the key properties of (2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid?
(2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid has a molecular weight of 254.31 g/mol, XLogP of -1.00, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-hydroxy-2-[[methyl(propan-2-yl)sulfamoyl]amino]butanoic acid is sourced from PubChem (CID 104933802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).