(2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride

C11H17ClN2O4S — CID 141092431

IUPAC(2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride
SMILESCC(CN)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O.Cl
InChIInChI=1S/C11H16N2O4S.ClH/c1-8(7-12)10(11(14)15)13-18(16,17)9-5-3-2-4-6-9;/h2-6,8,10,13H,7,12H2,1H3,(H,14,15);1H/t8?,10-;/m1./s1
InChIKeyGVOZEJHSZRVJQT-JDXSOMNQSA-N
MW308.79 g/mol
LogP0.43
Rot. Bonds6

About (2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride

(2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride (PubChem CID 141092431) has the molecular formula C11H17ClN2O4S and a molecular weight of 308.79 g/mol. Its IUPAC name is (2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride.

Molecular Properties

Compound Name(2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride
PubChem CID141092431
Molecular FormulaC11H17ClN2O4S
Molecular Weight308.79 g/mol
Exact Mass308.06
IUPAC Name(2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride
SMILESCC(CN)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O.Cl
InChIInChI=1S/C11H16N2O4S.ClH/c1-8(7-12)10(11(14)15)13-18(16,17)9-5-3-2-4-6-9;/h2-6,8,10,13H,7,12H2,1H3,(H,14,15);1H/t8?,10-;/m1./s1
InChIKeyGVOZEJHSZRVJQT-JDXSOMNQSA-N
XLogP0.43
TPSA109.49 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-(benzenesulfonamido)-3-methylbutanoic acid;methane
CID 158887122
ethyl (2S)-3-amino-2-(benzenesulfonamido)propanoate;hydrochloride
CID 18664309
(2S)-2-[(4-carbamoylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 61173826
prop-2-enyl (2S,3S)-2-(benzenesulfonamido)-3-methylpentanoate
CID 139807925
(2R)-2-(benzenesulfonamido)propanamide
CID 970705
(2R)-3-methyl-2-[[4-(4-phenylphenyl)phenyl]sulfonylamino]butanoic acid
CID 71347191
methyl (2S)-3,3-diamino-2-(benzenesulfonamido)propanoate
CID 70080026
(2S,3R)-2-[(4-chlorophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6541721
(2S,3R)-2-[(4-bromophenyl)sulfonylamino]-3-methylpentanoic acid
CID 6362488
methyl (2S)-2-(benzenesulfonamido)propanoate
CID 10857687
2-(benzenesulfonamido)-N'-hydroxy-3-methylbutanimidamide
CID 77038656
2-[(4-acetylphenyl)sulfonylamino]-3-methylpentanoic acid
CID 43081296

Frequently Asked Questions

What is the IUPAC name of (2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride?
The IUPAC name of (2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride (CID 141092431) is (2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride.
What is the SMILES notation for (2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride?
The canonical SMILES for (2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride is CC(CN)[C@@H](NS(=O)(=O)c1ccccc1)C(=O)O.Cl.
What is the InChIKey of (2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride?
The InChIKey is GVOZEJHSZRVJQT-JDXSOMNQSA-N. The full InChI is InChI=1S/C11H16N2O4S.ClH/c1-8(7-12)10(11(14)15)13-18(16,17)9-5-3-2-4-6-9;/h2-6,8,10,13H,7,12H2,1H3,(H,14,15);1H/t8?,10-;/m1./s1.
What are the key properties of (2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride?
(2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride has a molecular weight of 308.79 g/mol, XLogP of 0.43, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-amino-2-(benzenesulfonamido)-3-methylbutanoic acid;hydrochloride is sourced from PubChem (CID 141092431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).