dilithium;2-acetamido-3-sulfonatopropanoate

C5H7Li2NO6S — CID 23542740

IUPACdilithium;2-acetamido-3-sulfonatopropanoate
SMILESCC(=O)NC(CS(=O)(=O)[O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C5H9NO6S.2Li/c1-3(7)6-4(5(8)9)2-13(10,11)12;;/h4H,2H2,1H3,(H,6,7)(H,8,9)(H,10,11,12);;/q;2*+1/p-2
InChIKeyNZOAMRALUJZTSC-UHFFFAOYSA-L
MW223.06 g/mol
LogP-9.21
Rot. Bonds4

About dilithium;2-acetamido-3-sulfonatopropanoate

dilithium;2-acetamido-3-sulfonatopropanoate (PubChem CID 23542740) has the molecular formula C5H7Li2NO6S and a molecular weight of 223.06 g/mol. Its IUPAC name is dilithium;2-acetamido-3-sulfonatopropanoate.

Molecular Properties

Compound Namedilithium;2-acetamido-3-sulfonatopropanoate
PubChem CID23542740
Molecular FormulaC5H7Li2NO6S
Molecular Weight223.06 g/mol
Exact Mass223.03
IUPAC Namedilithium;2-acetamido-3-sulfonatopropanoate
SMILESCC(=O)NC(CS(=O)(=O)[O-])C(=O)[O-].[Li+].[Li+]
InChIInChI=1S/C5H9NO6S.2Li/c1-3(7)6-4(5(8)9)2-13(10,11)12;;/h4H,2H2,1H3,(H,6,7)(H,8,9)(H,10,11,12);;/q;2*+1/p-2
InChIKeyNZOAMRALUJZTSC-UHFFFAOYSA-L
XLogP-9.21
TPSA126.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.06
LogP ≤ 5-9.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

lithium 2-acetamido-3-sulfanylpropanoate
CID 87246334
potassium 2-acetamido-2-hydroxyethanesulfonate
CID 58995640
sodium 2-acetamido-3-sulfanylpropanoate
CID 23678797
tris((2R)-2-acetamido-3-sulfanylpropanoate);gold(3+)
CID 159067703
calcium 2-acetamido-3-sulfidopropanoate
CID 46195372
(2S)-2-acetamido-4-(methylsulfonimidoyl)butanoate
CID 91972243
(2R)-2-acetamidohexanoate
CID 6995105
disodium;2-acetamidopentanedioate
CID 18539436
tetrakis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
CID 154734792
zinc bis((2S)-2-acetamido-4-methylsulfanylbutanoate)
CID 24847734
bis((2S)-2-acetamido-4-methylsulfanylbutanoate);manganese(2+)
CID 71587405
2,6-diacetamidohexanoate
CID 78438708

Frequently Asked Questions

What is the IUPAC name of dilithium;2-acetamido-3-sulfonatopropanoate?
The IUPAC name of dilithium;2-acetamido-3-sulfonatopropanoate (CID 23542740) is dilithium;2-acetamido-3-sulfonatopropanoate.
What is the SMILES notation for dilithium;2-acetamido-3-sulfonatopropanoate?
The canonical SMILES for dilithium;2-acetamido-3-sulfonatopropanoate is CC(=O)NC(CS(=O)(=O)[O-])C(=O)[O-].[Li+].[Li+].
What is the InChIKey of dilithium;2-acetamido-3-sulfonatopropanoate?
The InChIKey is NZOAMRALUJZTSC-UHFFFAOYSA-L. The full InChI is InChI=1S/C5H9NO6S.2Li/c1-3(7)6-4(5(8)9)2-13(10,11)12;;/h4H,2H2,1H3,(H,6,7)(H,8,9)(H,10,11,12);;/q;2*+1/p-2.
What are the key properties of dilithium;2-acetamido-3-sulfonatopropanoate?
dilithium;2-acetamido-3-sulfonatopropanoate has a molecular weight of 223.06 g/mol, XLogP of -9.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for dilithium;2-acetamido-3-sulfonatopropanoate is sourced from PubChem (CID 23542740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).