zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride

C3H6ClNO2SZn — CID 16747163

IUPACzinc;(2S)-2-amino-3-sulfanylpropanoate;chloride
SMILESN[C@H](CS)C(=O)[O-].[Cl-].[Zn+2]
InChIInChI=1S/C3H7NO2S.ClH.Zn/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;/q;;+2/p-2/t2-;;/m1../s1
InChIKeyZACWWEXAGRDPTH-YBBRRFGFSA-L
MW221.00 g/mol
LogP-5.01
Rot. Bonds2

About zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride

zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride (PubChem CID 16747163) has the molecular formula C3H6ClNO2SZn and a molecular weight of 221.00 g/mol. Its IUPAC name is zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride.

Molecular Properties

Compound Namezinc;(2S)-2-amino-3-sulfanylpropanoate;chloride
PubChem CID16747163
Molecular FormulaC3H6ClNO2SZn
Molecular Weight221.00 g/mol
Exact Mass218.91
IUPAC Namezinc;(2S)-2-amino-3-sulfanylpropanoate;chloride
SMILESN[C@H](CS)C(=O)[O-].[Cl-].[Zn+2]
InChIInChI=1S/C3H7NO2S.ClH.Zn/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;/q;;+2/p-2/t2-;;/m1../s1
InChIKeyZACWWEXAGRDPTH-YBBRRFGFSA-L
XLogP-5.01
TPSA66.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 5-5.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

tris(2-amino-3-sulfanylpropanoate);arsenic(3+)
CID 73294154
dizinc;2-amino-3-[[(2R)-2-amino-2-carboxylatoethyl]disulfanyl]propanoate;(2S)-2-amino-4-methylsulfanylbutanoate;(2R)-2-amino-3-sulfanylpropanoate
CID 173395298
2-amino-3-sulfanylpropanoic acid chloride
CID 22609099
calcium;(2R)-2-amino-3-sulfanylpropanoic acid;carbonate
CID 161349060
zinc;(2R)-2-amino-3-sulfanylpropanoic acid;oxygen(2-)
CID 157249919
(2R)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 87266348
2-amino-3-sulfanylpropanoic acid
CID 21459566
(2R)-2-amino-3-hydroxypropanoate
CID 5460788
(2S)-2-amino-3-sulfanylpropanoic acid;2-amino-3-sulfanylpropanoic acid
CID 138731668
sodium;(2R)-2-amino-3-sulfanylpropanoic acid;acetate
CID 167600455
zinc;2-amino-3-sulfidopropanoate;hydrochloride
CID 85144932
copper;octakis(2-aminoacetic acid);bis((2S)-2-amino-4-methylpentanoic acid);tetrakis((2S)-2-aminopropanoic acid);bis((2R)-2-amino-3-sulfanylpropanoate)
CID 173087541

Frequently Asked Questions

What is the IUPAC name of zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride?
The IUPAC name of zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride (CID 16747163) is zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride.
What is the SMILES notation for zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride?
The canonical SMILES for zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride is N[C@H](CS)C(=O)[O-].[Cl-].[Zn+2].
What is the InChIKey of zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride?
The InChIKey is ZACWWEXAGRDPTH-YBBRRFGFSA-L. The full InChI is InChI=1S/C3H7NO2S.ClH.Zn/c4-2(1-7)3(5)6;;/h2,7H,1,4H2,(H,5,6);1H;/q;;+2/p-2/t2-;;/m1../s1.
What are the key properties of zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride?
zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride has a molecular weight of 221.00 g/mol, XLogP of -5.01, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride is sourced from PubChem (CID 16747163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).