zinc;2-amino-3-sulfidopropanoate;hydrochloride

C3H6ClNO2SZn — CID 85144932

IUPACzinc;2-amino-3-sulfidopropanoate;hydrochloride
SMILESCl.NC(C[S-])C(=O)[O-].[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
InChIKeyZACWWEXAGRDPTH-UHFFFAOYSA-L
MW221.00 g/mol
LogP-1.97
Rot. Bonds2

About zinc;2-amino-3-sulfidopropanoate;hydrochloride

zinc;2-amino-3-sulfidopropanoate;hydrochloride (PubChem CID 85144932) has the molecular formula C3H6ClNO2SZn and a molecular weight of 221.00 g/mol. Its IUPAC name is zinc;2-amino-3-sulfidopropanoate;hydrochloride.

Molecular Properties

Compound Namezinc;2-amino-3-sulfidopropanoate;hydrochloride
PubChem CID85144932
Molecular FormulaC3H6ClNO2SZn
Molecular Weight221.00 g/mol
Exact Mass218.91
IUPAC Namezinc;2-amino-3-sulfidopropanoate;hydrochloride
SMILESCl.NC(C[S-])C(=O)[O-].[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
InChIKeyZACWWEXAGRDPTH-UHFFFAOYSA-L
XLogP-1.97
TPSA66.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 5-1.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-amino-3-hydroxypropanoate
CID 5460788
(2S)-2-aminobutanedioate;manganese(2+);hydrochloride
CID 88636151
zinc;(2S)-2-amino-3-sulfanylpropanoate;chloride
CID 16747163
calcium;2-aminobutanedioate;hydrochloride
CID 19880069
magnesium;2-aminobutanedioate;hydrochloride
CID 13372672
2-aminobutanedioate
CID 4519554
sodium 2-amino-3-hydroxypropanoate
CID 23676048
CID 21127296
CID 21127296
(2R)-2,4-diamino-4-oxobutanoate
CID 5460878
(2S)-2-aminobutanedioate;silver
CID 87272123
tris(2-aminobutanedioate);bis(vanadium)
CID 173191601
tris(2-amino-3-sulfanylpropanoate);arsenic(3+)
CID 73294154

Frequently Asked Questions

What is the IUPAC name of zinc;2-amino-3-sulfidopropanoate;hydrochloride?
The IUPAC name of zinc;2-amino-3-sulfidopropanoate;hydrochloride (CID 85144932) is zinc;2-amino-3-sulfidopropanoate;hydrochloride.
What is the SMILES notation for zinc;2-amino-3-sulfidopropanoate;hydrochloride?
The canonical SMILES for zinc;2-amino-3-sulfidopropanoate;hydrochloride is Cl.NC(C[S-])C(=O)[O-].[Zn+2].
What is the InChIKey of zinc;2-amino-3-sulfidopropanoate;hydrochloride?
The InChIKey is ZACWWEXAGRDPTH-UHFFFAOYSA-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.
What are the key properties of zinc;2-amino-3-sulfidopropanoate;hydrochloride?
zinc;2-amino-3-sulfidopropanoate;hydrochloride has a molecular weight of 221.00 g/mol, XLogP of -1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for zinc;2-amino-3-sulfidopropanoate;hydrochloride is sourced from PubChem (CID 85144932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).