2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride

C6H6ClNO5Ru — CID 10267295

IUPAC2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride
SMILESCC(N)C(=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Ru+2]
InChIInChI=1S/C3H7NO2.3CO.ClH.Ru/c1-2(4)3(5)6;3*1-2;;/h2H,4H2,1H3,(H,5,6);;;;1H;/q;;;;;+2/p-2
InChIKeyZZCLJMRUPUTXAY-UHFFFAOYSA-L
MW308.64 g/mol
LogP-5.03
Rot. Bonds1

About 2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride

2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride (PubChem CID 10267295) has the molecular formula C6H6ClNO5Ru and a molecular weight of 308.64 g/mol. Its IUPAC name is 2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride.

Molecular Properties

Compound Name2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride
PubChem CID10267295
Molecular FormulaC6H6ClNO5Ru
Molecular Weight308.64 g/mol
Exact Mass308.90
IUPAC Name2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride
SMILESCC(N)C(=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Ru+2]
InChIInChI=1S/C3H7NO2.3CO.ClH.Ru/c1-2(4)3(5)6;3*1-2;;/h2H,4H2,1H3,(H,5,6);;;;1H;/q;;;;;+2/p-2
InChIKeyZZCLJMRUPUTXAY-UHFFFAOYSA-L
XLogP-5.03
TPSA125.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.64
LogP ≤ 5-5.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-aminopropanoate
CID 5460980
bis((2S)-2-aminopropanoate);palladium(2+)
CID 86639208
potassium 2-aminopropanoate
CID 21339510
calcium;bis((2S)-2-aminopropanoate);pentahydrate
CID 176654568
2-aminopropanoate;hydron;hydrochloride
CID 173141944
2-aminopropanoate;carbon dioxide
CID 160850245
disodium;2-aminopropanoate;methane;molecular hydrogen;2-oxopropanoate
CID 158115198
copper bis(2-hydroxypropanoate)
CID 13145
(2R)-2-sulfanylpropanoate
CID 7057984
2-amino-3-methylbutanoate
CID 5460778
calcium;(2S)-2-aminopropanoic acid;dichloride
CID 173075157
methane;2-sulfanylpropanoate
CID 158507448

Frequently Asked Questions

What is the IUPAC name of 2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride?
The IUPAC name of 2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride (CID 10267295) is 2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride.
What is the SMILES notation for 2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride?
The canonical SMILES for 2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride is CC(N)C(=O)[O-].[C-]#[O+].[C-]#[O+].[C-]#[O+].[Cl-].[Ru+2].
What is the InChIKey of 2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride?
The InChIKey is ZZCLJMRUPUTXAY-UHFFFAOYSA-L. The full InChI is InChI=1S/C3H7NO2.3CO.ClH.Ru/c1-2(4)3(5)6;3*1-2;;/h2H,4H2,1H3,(H,5,6);;;;1H;/q;;;;;+2/p-2.
What are the key properties of 2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride?
2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride has a molecular weight of 308.64 g/mol, XLogP of -5.03, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminopropanoate;carbon monoxide;ruthenium(2+);chloride is sourced from PubChem (CID 10267295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).