(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride

C8H16ClNO4S — CID 119031452

IUPAC(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride
SMILESCC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)O.Cl
InChIInChI=1S/C8H15NO4S.ClH/c1-5(2)7(8(10)11)9-14(12,13)6-3-4-6;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H/t7-;/m1./s1
InChIKeyWDVFNGRGOWQYSH-OGFXRTJISA-N
MW257.74 g/mol
LogP0.60
Rot. Bonds5

About (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride

(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride (PubChem CID 119031452) has the molecular formula C8H16ClNO4S and a molecular weight of 257.74 g/mol. Its IUPAC name is (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride
PubChem CID119031452
Molecular FormulaC8H16ClNO4S
Molecular Weight257.74 g/mol
Exact Mass257.05
IUPAC Name(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride
SMILESCC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)O.Cl
InChIInChI=1S/C8H15NO4S.ClH/c1-5(2)7(8(10)11)9-14(12,13)6-3-4-6;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H/t7-;/m1./s1
InChIKeyWDVFNGRGOWQYSH-OGFXRTJISA-N
XLogP0.60
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.74
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride?
The IUPAC name of (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride (CID 119031452) is (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride is CC(C)[C@@H](NS(=O)(=O)C1CC1)C(=O)O.Cl.
What is the InChIKey of (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride?
The InChIKey is WDVFNGRGOWQYSH-OGFXRTJISA-N. The full InChI is InChI=1S/C8H15NO4S.ClH/c1-5(2)7(8(10)11)9-14(12,13)6-3-4-6;/h5-7,9H,3-4H2,1-2H3,(H,10,11);1H/t7-;/m1./s1.
What are the key properties of (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride?
(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride has a molecular weight of 257.74 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 119031452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).