(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese

C5H11MnNO2S — CID 175737812

IUPAC(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese
SMILESCC(C)(S)[C@@H](N)C(=O)O.[Mn]
InChIInChI=1S/C5H11NO2S.Mn/c1-5(2,9)3(6)4(7)8;/h3,9H,6H2,1-2H3,(H,7,8);/t3-;/m0./s1
InChIKeyJEOZWPVCRMPJDK-DFWYDOINSA-N
MW204.15 g/mol
LogP0.10
Rot. Bonds2

About (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese

(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese (PubChem CID 175737812) has the molecular formula C5H11MnNO2S and a molecular weight of 204.15 g/mol. Its IUPAC name is (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese.

Molecular Properties

Compound Name(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese
PubChem CID175737812
Molecular FormulaC5H11MnNO2S
Molecular Weight204.15 g/mol
Exact Mass203.99
IUPAC Name(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese
SMILESCC(C)(S)[C@@H](N)C(=O)O.[Mn]
InChIInChI=1S/C5H11NO2S.Mn/c1-5(2,9)3(6)4(7)8;/h3,9H,6H2,1-2H3,(H,7,8);/t3-;/m0./s1
InChIKeyJEOZWPVCRMPJDK-DFWYDOINSA-N
XLogP0.10
TPSA63.32 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.15
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

tetrakis((2S)-2-amino-3-methyl-3-sulfanylbutanoic acid);sulfane
CID 173050737
bis((2R)-2-amino-3-methyl-3-sulfanylbutanoic acid);mercury;sulfane
CID 173462825
(2S,3R)-2-amino-4,4,4-trideuterio-3-methyl-3-sulfanylbutanoic acid
CID 25240785
(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;trithiaselenetane
CID 88623637
(2R)-2-(deuterioamino)-3-methyl-3-sulfanylbutanoic acid
CID 20593829
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;(2S)-2-amino-4-sulfanylbutanoic acid
CID 131699260
(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;(2S)-2-aminopentanedioic acid
CID 87642658
trisodium;(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;2-hydroxypropane-1,2,3-tricarboxylate
CID 173103869
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;imidazolidine-2,4-dione
CID 91622674
(2S)-2-amino-3,3-dihydroxybutanoic acid
CID 144692818
(2R)-2-[[(2R)-2-amino-3-methyl-3-sulfanylbutanoyl]amino]-3-methyl-3-sulfanylbutanoic acid
CID 175691591
(2R)-2-amino-3-methyl-3-sulfanylbutanoic acid;dec-1-ene
CID 87392704

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese?
The IUPAC name of (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese (CID 175737812) is (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese.
What is the SMILES notation for (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese?
The canonical SMILES for (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese is CC(C)(S)[C@@H](N)C(=O)O.[Mn].
What is the InChIKey of (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese?
The InChIKey is JEOZWPVCRMPJDK-DFWYDOINSA-N. The full InChI is InChI=1S/C5H11NO2S.Mn/c1-5(2,9)3(6)4(7)8;/h3,9H,6H2,1-2H3,(H,7,8);/t3-;/m0./s1.
What are the key properties of (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese?
(2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese has a molecular weight of 204.15 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-3-methyl-3-sulfanylbutanoic acid;manganese is sourced from PubChem (CID 175737812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).