sodium 2-amino-4-methylsulfanylbutanoate

C5H10NNaO2S — CID 23672723

IUPACsodium 2-amino-4-methylsulfanylbutanoate
SMILESCSCCC(N)C(=O)[O-].[Na+]
InChIInChI=1S/C5H11NO2S.Na/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyIREPZTZSVPKCAR-UHFFFAOYSA-M
MW171.20 g/mol
LogP-4.18
Rot. Bonds4

About sodium 2-amino-4-methylsulfanylbutanoate

sodium 2-amino-4-methylsulfanylbutanoate (PubChem CID 23672723) has the molecular formula C5H10NNaO2S and a molecular weight of 171.20 g/mol. Its IUPAC name is sodium 2-amino-4-methylsulfanylbutanoate.

Molecular Properties

Compound Namesodium 2-amino-4-methylsulfanylbutanoate
PubChem CID23672723
Molecular FormulaC5H10NNaO2S
Molecular Weight171.20 g/mol
Exact Mass171.03
IUPAC Namesodium 2-amino-4-methylsulfanylbutanoate
SMILESCSCCC(N)C(=O)[O-].[Na+]
InChIInChI=1S/C5H11NO2S.Na/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);/q;+1/p-1
InChIKeyIREPZTZSVPKCAR-UHFFFAOYSA-M
XLogP-4.18
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-4.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium 2-amino-4-methylsulfanylbutanoate?
The IUPAC name of sodium 2-amino-4-methylsulfanylbutanoate (CID 23672723) is sodium 2-amino-4-methylsulfanylbutanoate.
What is the SMILES notation for sodium 2-amino-4-methylsulfanylbutanoate?
The canonical SMILES for sodium 2-amino-4-methylsulfanylbutanoate is CSCCC(N)C(=O)[O-].[Na+].
What is the InChIKey of sodium 2-amino-4-methylsulfanylbutanoate?
The InChIKey is IREPZTZSVPKCAR-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11NO2S.Na/c1-9-3-2-4(6)5(7)8;/h4H,2-3,6H2,1H3,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 2-amino-4-methylsulfanylbutanoate?
sodium 2-amino-4-methylsulfanylbutanoate has a molecular weight of 171.20 g/mol, XLogP of -4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2-amino-4-methylsulfanylbutanoate is sourced from PubChem (CID 23672723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).