(2S)-2-amino-2-methylbutanoic acid;sulfuric acid

C5H13NO6S — CID 175752113

IUPAC(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
SMILESCC[C@](C)(N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C5H11NO2.H2O4S/c1-3-5(2,6)4(7)8;1-5(2,3)4/h3,6H2,1-2H3,(H,7,8);(H2,1,2,3,4)/t5-;/m0./s1
InChIKeyXLZWOBNFPQUODW-JEDNCBNOSA-N
MW215.23 g/mol
LogP-0.45
Rot. Bonds2

About (2S)-2-amino-2-methylbutanoic acid;sulfuric acid

(2S)-2-amino-2-methylbutanoic acid;sulfuric acid (PubChem CID 175752113) has the molecular formula C5H13NO6S and a molecular weight of 215.23 g/mol. Its IUPAC name is (2S)-2-amino-2-methylbutanoic acid;sulfuric acid.

Molecular Properties

Compound Name(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
PubChem CID175752113
Molecular FormulaC5H13NO6S
Molecular Weight215.23 g/mol
Exact Mass215.05
IUPAC Name(2S)-2-amino-2-methylbutanoic acid;sulfuric acid
SMILESCC[C@](C)(N)C(=O)O.O=S(=O)(O)O
InChIInChI=1S/C5H11NO2.H2O4S/c1-3-5(2,6)4(7)8;1-5(2,3)4/h3,6H2,1-2H3,(H,7,8);(H2,1,2,3,4)/t5-;/m0./s1
InChIKeyXLZWOBNFPQUODW-JEDNCBNOSA-N
XLogP-0.45
TPSA137.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 5-0.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-2-methylbutanoic acid
CID 6971276
2-amino-2-methylbutanoic acid;2-(diethylamino)-2-methylpropanoic acid
CID 157400668
2-aminobutan-2-ol;azane;sulfuric acid
CID 174805988
2-(15N)azanyl-2-methylbutanamide
CID 10844374
lithium;2-amino-2,3,3-trimethylpentanoic acid;hydride
CID 174387889
2,7-diamino-2,7-dimethyloctanedioic acid
CID 18936054
2-amino-3-fluoro-2-methylpropanoic acid
CID 10898956
(2S)-2-amino-5,5-difluoro-2-methylheptanoic acid
CID 87211555
2,3-dimethylbutane-2,3-diamine;sulfuric acid
CID 175026836
carbonic acid;3-ethylpentan-3-amine;methanol
CID 174474253
2-amino-2-methyl-4-oxopentanoic acid
CID 22140646
2-methylpentan-2-amine;sulfuric acid
CID 174200327

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-2-methylbutanoic acid;sulfuric acid?
The IUPAC name of (2S)-2-amino-2-methylbutanoic acid;sulfuric acid (CID 175752113) is (2S)-2-amino-2-methylbutanoic acid;sulfuric acid.
What is the SMILES notation for (2S)-2-amino-2-methylbutanoic acid;sulfuric acid?
The canonical SMILES for (2S)-2-amino-2-methylbutanoic acid;sulfuric acid is CC[C@](C)(N)C(=O)O.O=S(=O)(O)O.
What is the InChIKey of (2S)-2-amino-2-methylbutanoic acid;sulfuric acid?
The InChIKey is XLZWOBNFPQUODW-JEDNCBNOSA-N. The full InChI is InChI=1S/C5H11NO2.H2O4S/c1-3-5(2,6)4(7)8;1-5(2,3)4/h3,6H2,1-2H3,(H,7,8);(H2,1,2,3,4)/t5-;/m0./s1.
What are the key properties of (2S)-2-amino-2-methylbutanoic acid;sulfuric acid?
(2S)-2-amino-2-methylbutanoic acid;sulfuric acid has a molecular weight of 215.23 g/mol, XLogP of -0.45, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-2-methylbutanoic acid;sulfuric acid is sourced from PubChem (CID 175752113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).