2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid

C8H18N2O5S — CID 114814696

IUPAC2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid
SMILESCC(C)CNS(=O)(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H18N2O5S/c1-6(2)4-9-16(14,15)10-5-8(3,13)7(11)12/h6,9-10,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyPWZROTAJEPAKJX-UHFFFAOYSA-N
MW254.31 g/mol
LogP-1.10
Rot. Bonds7

About 2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid

2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid (PubChem CID 114814696) has the molecular formula C8H18N2O5S and a molecular weight of 254.31 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid.

Molecular Properties

Compound Name2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid
PubChem CID114814696
Molecular FormulaC8H18N2O5S
Molecular Weight254.31 g/mol
Exact Mass254.09
IUPAC Name2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid
SMILESCC(C)CNS(=O)(=O)NCC(C)(O)C(=O)O
InChIInChI=1S/C8H18N2O5S/c1-6(2)4-9-16(14,15)10-5-8(3,13)7(11)12/h6,9-10,13H,4-5H2,1-3H3,(H,11,12)
InChIKeyPWZROTAJEPAKJX-UHFFFAOYSA-N
XLogP-1.10
TPSA115.73 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.31
LogP ≤ 5-1.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydroxy-2-methyl-3-(methylsulfamoylamino)propanoic acid
CID 114806493
2-hydroxy-2-methyl-3-(2-propan-2-yloxyethylsulfonylamino)propanoic acid
CID 79594626
3-(2-ethylbutylsulfonylamino)-2-hydroxy-2-methylpropanoic acid
CID 122071429
N-(tert-butylsulfamoyl)-2-methylpropan-1-amine
CID 104538392
3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815587
2-methyl-3-(2-methylpropylsulfamoylamino)propan-1-ol
CID 114815684
2-hydroxy-2-methyl-3-(3-methylbutanoylamino)propanoic acid
CID 66172744
3-[(3,4-dichlorophenyl)methylsulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071355
3-[(2,5-difluoro-4-methylphenyl)sulfonylamino]-2-hydroxy-2-methylpropanoic acid
CID 122071452
2-hydroxy-3-[(4-hydroxy-2-methylbutyl)amino]-2-methylpropanoic acid
CID 104644680
2-hydroxy-3-[(1-hydroxy-4-methylpentan-2-yl)amino]-2-methylpropanoic acid
CID 104644120
3-ethyl-1-(2-methylpropylsulfamoylamino)pentan-2-ol
CID 106288332

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid?
The IUPAC name of 2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid (CID 114814696) is 2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid.
What is the SMILES notation for 2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid?
The canonical SMILES for 2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid is CC(C)CNS(=O)(=O)NCC(C)(O)C(=O)O.
What is the InChIKey of 2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid?
The InChIKey is PWZROTAJEPAKJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O5S/c1-6(2)4-9-16(14,15)10-5-8(3,13)7(11)12/h6,9-10,13H,4-5H2,1-3H3,(H,11,12).
What are the key properties of 2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid?
2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid has a molecular weight of 254.31 g/mol, XLogP of -1.10, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-3-(2-methylpropylsulfamoylamino)propanoic acid is sourced from PubChem (CID 114814696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).