lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide

C5H10LiNO2S — CID 175914982

IUPAClithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide
SMILESCSCC[C@H]([NH-])C(=O)O.[Li+]
InChIInChI=1S/C5H10NO2S.Li/c1-9-3-2-4(6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q-1;+1/t4-;/m0./s1
InChIKeyHLKOSNUQMGLSIO-WCCKRBBISA-N
MW155.15 g/mol
LogP-1.75
Rot. Bonds4

About lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide

lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide (PubChem CID 175914982) has the molecular formula C5H10LiNO2S and a molecular weight of 155.15 g/mol. Its IUPAC name is lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide.

Molecular Properties

Compound Namelithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide
PubChem CID175914982
Molecular FormulaC5H10LiNO2S
Molecular Weight155.15 g/mol
Exact Mass155.06
IUPAC Namelithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide
SMILESCSCC[C@H]([NH-])C(=O)O.[Li+]
InChIInChI=1S/C5H10NO2S.Li/c1-9-3-2-4(6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q-1;+1/t4-;/m0./s1
InChIKeyHLKOSNUQMGLSIO-WCCKRBBISA-N
XLogP-1.75
TPSA61.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 5-1.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

bis([(1S)-1-carboxy-3-methylsulfanylpropyl]azanide);platinum(2+)
CID 172761205
2-(2-methylsulfanylethyl)propanedioic acid
CID 87755273
2-hydroxy-3-(methylamino)-5-methylsulfanylpentanoic acid
CID 20660327
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
2-amino-4-methylsulfanylbutanoic acid
CID 876
2-hydroxy-4-methylsulfanylbutanoic acid;manganese
CID 174627815
2-hydroxy-4-methylsulfanylbutanoic acid;bis(nickel(2+))
CID 46207063
2-aminooxy-4-methylsulfanylbutanoic acid
CID 548373
2-amino-4-methylsulfanylbutanoic acid;sulfuric acid
CID 18780207

Frequently Asked Questions

What is the IUPAC name of lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide?
The IUPAC name of lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide (CID 175914982) is lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide.
What is the SMILES notation for lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide?
The canonical SMILES for lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide is CSCC[C@H]([NH-])C(=O)O.[Li+].
What is the InChIKey of lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide?
The InChIKey is HLKOSNUQMGLSIO-WCCKRBBISA-N. The full InChI is InChI=1S/C5H10NO2S.Li/c1-9-3-2-4(6)5(7)8;/h4,6H,2-3H2,1H3,(H,7,8);/q-1;+1/t4-;/m0./s1.
What are the key properties of lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide?
lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide has a molecular weight of 155.15 g/mol, XLogP of -1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium [(1S)-1-carboxy-3-methylsulfanylpropyl]azanide is sourced from PubChem (CID 175914982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).