bis((2S)-2-amino-3-methylbutanoic acid);sulfane

C10H24N2O4S — CID 87598201

IUPACbis((2S)-2-amino-3-methylbutanoic acid);sulfane
SMILESCC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.S
InChIInChI=1S/2C5H11NO2.H2S/c2*1-3(2)4(6)5(7)8;/h2*3-4H,6H2,1-2H3,(H,7,8);1H2/t2*4-;/m00./s1
InChIKeyWLEIFWUFJNAGGV-SCGRZTRASA-N
MW268.38 g/mol
LogP0.22
Rot. Bonds4

About bis((2S)-2-amino-3-methylbutanoic acid);sulfane

bis((2S)-2-amino-3-methylbutanoic acid);sulfane (PubChem CID 87598201) has the molecular formula C10H24N2O4S and a molecular weight of 268.38 g/mol. Its IUPAC name is bis((2S)-2-amino-3-methylbutanoic acid);sulfane.

Molecular Properties

Compound Namebis((2S)-2-amino-3-methylbutanoic acid);sulfane
PubChem CID87598201
Molecular FormulaC10H24N2O4S
Molecular Weight268.38 g/mol
Exact Mass268.15
IUPAC Namebis((2S)-2-amino-3-methylbutanoic acid);sulfane
SMILESCC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.S
InChIInChI=1S/2C5H11NO2.H2S/c2*1-3(2)4(6)5(7)8;/h2*3-4H,6H2,1-2H3,(H,7,8);1H2/t2*4-;/m00./s1
InChIKeyWLEIFWUFJNAGGV-SCGRZTRASA-N
XLogP0.22
TPSA126.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 50.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(15N)azanyl-3-methylbutanoic acid
CID 10558606
2-amino-3-methylbutanoic acid;vanadium
CID 175123177
tris((2S)-2-amino-3-methylbutanoic acid);chromium
CID 156700513
silver 2-amino-3-methylbutanoic acid
CID 19021116
2-amino-3-methylbutanoic acid;zinc;dihydrate
CID 175445851
magnesium;(2S)-2-amino-3-methylbutanoic acid;dichloride
CID 159678853
(2S)-2-amino-3-methylbutanoic acid;silyloxysilane
CID 173116914
(2S)-2-amino-3-methylbutanoic acid;carbonyl dichloride
CID 87642721
(2S)-2-amino-3-methylbutanamide;(2S)-2-amino-3-methylbutanoic acid
CID 175839028
(2S)-2-amino-3-methylbutanoic acid;benzene;chloromethane
CID 159269253
(2S)-2-amino-3-methylbutanoic acid;formic acid
CID 160949818
2-amino-3-hydroxybutanoic acid;(2S)-2-amino-3-methylbutanoic acid
CID 146265314

Frequently Asked Questions

What is the IUPAC name of bis((2S)-2-amino-3-methylbutanoic acid);sulfane?
The IUPAC name of bis((2S)-2-amino-3-methylbutanoic acid);sulfane (CID 87598201) is bis((2S)-2-amino-3-methylbutanoic acid);sulfane.
What is the SMILES notation for bis((2S)-2-amino-3-methylbutanoic acid);sulfane?
The canonical SMILES for bis((2S)-2-amino-3-methylbutanoic acid);sulfane is CC(C)[C@H](N)C(=O)O.CC(C)[C@H](N)C(=O)O.S.
What is the InChIKey of bis((2S)-2-amino-3-methylbutanoic acid);sulfane?
The InChIKey is WLEIFWUFJNAGGV-SCGRZTRASA-N. The full InChI is InChI=1S/2C5H11NO2.H2S/c2*1-3(2)4(6)5(7)8;/h2*3-4H,6H2,1-2H3,(H,7,8);1H2/t2*4-;/m00./s1.
What are the key properties of bis((2S)-2-amino-3-methylbutanoic acid);sulfane?
bis((2S)-2-amino-3-methylbutanoic acid);sulfane has a molecular weight of 268.38 g/mol, XLogP of 0.22, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis((2S)-2-amino-3-methylbutanoic acid);sulfane is sourced from PubChem (CID 87598201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).