sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate

C5H10NNaO4S — CID 167600455

IUPACsodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate
SMILESCC(=O)[O-].N[C@@H](CS)C(=O)O.[Na+]
InChIInChI=1S/C3H7NO2S.C2H4O2.Na/c4-2(1-7)3(5)6;1-2(3)4;/h2,7H,1,4H2,(H,5,6);1H3,(H,3,4);/q;;+1/p-1/t2-;;/m0../s1
InChIKeyJQSHVTWKHUFMGJ-JIZZDEOASA-M
MW203.19 g/mol
LogP-4.91
Rot. Bonds2

About sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate

sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate (PubChem CID 167600455) has the molecular formula C5H10NNaO4S and a molecular weight of 203.19 g/mol. Its IUPAC name is sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate.

Molecular Properties

Compound Namesodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate
PubChem CID167600455
Molecular FormulaC5H10NNaO4S
Molecular Weight203.19 g/mol
Exact Mass203.02
IUPAC Namesodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate
SMILESCC(=O)[O-].N[C@@H](CS)C(=O)O.[Na+]
InChIInChI=1S/C3H7NO2S.C2H4O2.Na/c4-2(1-7)3(5)6;1-2(3)4;/h2,7H,1,4H2,(H,5,6);1H3,(H,3,4);/q;;+1/p-1/t2-;;/m0../s1
InChIKeyJQSHVTWKHUFMGJ-JIZZDEOASA-M
XLogP-4.91
TPSA103.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 5-4.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060
sodium;2-amino-3-sulfanylpropanoic acid;hydride
CID 173209935
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
2-amino-3-sulfanylpropanoic acid
CID 21459566
CID 87623250
CID 87623250
(2R)-2-amino-3-sulfanylpropanoic acid;iron
CID 87142909
2-amino-3-sulfanylpropanoic acid;molecular oxygen
CID 141222911
2-amino-3-sulfanylpropanoic acid;hydrofluoride
CID 174867150
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
sodium;(2R)-2-amino-3-sulfanylpropanoic acid;nitrite
CID 162394147
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919

Frequently Asked Questions

What is the IUPAC name of sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate?
The IUPAC name of sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate (CID 167600455) is sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate.
What is the SMILES notation for sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate?
The canonical SMILES for sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate is CC(=O)[O-].N[C@@H](CS)C(=O)O.[Na+].
What is the InChIKey of sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate?
The InChIKey is JQSHVTWKHUFMGJ-JIZZDEOASA-M. The full InChI is InChI=1S/C3H7NO2S.C2H4O2.Na/c4-2(1-7)3(5)6;1-2(3)4;/h2,7H,1,4H2,(H,5,6);1H3,(H,3,4);/q;;+1/p-1/t2-;;/m0../s1.
What are the key properties of sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate?
sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate has a molecular weight of 203.19 g/mol, XLogP of -4.91, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate is sourced from PubChem (CID 167600455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).