2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium

C11H29N2O4S5Y- — CID 158549853

IUPAC2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium
SMILESC.CS.CSCCC(N)C(=O)O.NC(CS)C(=O)O.S.[CH-]=S.[Y]
InChIInChI=1S/C5H11NO2S.C3H7NO2S.CH4S.CHS.CH4.H2S.Y/c1-9-3-2-4(6)5(7)8;4-2(1-7)3(5)6;2*1-2;;;/h4H,2-3,6H2,1H3,(H,7,8);2,7H,1,4H2,(H,5,6);2H,1H3;1H;1H4;1H2;/q;;;-1;;;
InChIKeyBYAJPIJDSYSOGJ-UHFFFAOYSA-N
MW502.60 g/mol
LogP1.26
Rot. Bonds6

About 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium

2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium (PubChem CID 158549853) has the molecular formula C11H29N2O4S5Y- and a molecular weight of 502.60 g/mol. Its IUPAC name is 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium.

Molecular Properties

Compound Name2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium
PubChem CID158549853
Molecular FormulaC11H29N2O4S5Y-
Molecular Weight502.60 g/mol
Exact Mass501.98
IUPAC Name2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium
SMILESC.CS.CSCCC(N)C(=O)O.NC(CS)C(=O)O.S.[CH-]=S.[Y]
InChIInChI=1S/C5H11NO2S.C3H7NO2S.CH4S.CHS.CH4.H2S.Y/c1-9-3-2-4(6)5(7)8;4-2(1-7)3(5)6;2*1-2;;;/h4H,2-3,6H2,1H3,(H,7,8);2,7H,1,4H2,(H,5,6);2H,1H3;1H;1H4;1H2;/q;;;-1;;;
InChIKeyBYAJPIJDSYSOGJ-UHFFFAOYSA-N
XLogP1.26
TPSA126.64 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.60
LogP ≤ 51.26
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium with MolForge

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Related Compounds

bis(2-amino-4-methylsulfanylbutanoic acid);2-amino-3-sulfanylpropanoic acid
CID 166790626
(2S)-2-amino-4-methylsulfanylbutanoic acid;methanethiol;hydroiodide
CID 122236767
(2R)-2-amino-3-[[(2R)-2-amino-2-carboxyethyl]disulfanyl]propanoic acid;(2S)-2-amino-4-methylsulfanylbutanoic acid;(2R)-2-amino-3-sulfanylpropanoic acid;zinc
CID 173395299
2-amino-4-methylsulfanylbutanoic acid;sulfane;hydrate
CID 174389151
2-amino-4-(113C)methylsulfanylbutanoic acid
CID 15556496
(2R)-2-(15N)azanyl-4-methylsulfanylbutanoic acid
CID 150150636
(2S)-2-amino-4-methylsulfanylbutanoic acid
CID 6137
(2S)-2-(15N)azanyl-4-(113C)methylsulfanylbutanoic acid
CID 131708710
2-amino-4-methylsulfanylbutanoic acid
CID 876
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);(2S)-2-amino-4-sulfanylbutanoic acid
CID 88879582
bis((2S)-2-amino-4-methylsulfanylbutanoic acid);azane;sulfur monoxide;hydrochloride
CID 175409556
CID 173007920
CID 173007920

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium?
The IUPAC name of 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium (CID 158549853) is 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium.
What is the SMILES notation for 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium?
The canonical SMILES for 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium is C.CS.CSCCC(N)C(=O)O.NC(CS)C(=O)O.S.[CH-]=S.[Y].
What is the InChIKey of 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium?
The InChIKey is BYAJPIJDSYSOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2S.C3H7NO2S.CH4S.CHS.CH4.H2S.Y/c1-9-3-2-4(6)5(7)8;4-2(1-7)3(5)6;2*1-2;;;/h4H,2-3,6H2,1H3,(H,7,8);2,7H,1,4H2,(H,5,6);2H,1H3;1H;1H4;1H2;/q;;;-1;;;.
What are the key properties of 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium?
2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium has a molecular weight of 502.60 g/mol, XLogP of 1.26, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanylbutanoic acid;2-amino-3-sulfanylpropanoic acid;methane;methanethiol;methanethione;sulfane;yttrium is sourced from PubChem (CID 158549853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).