nitro 2-aminoacetate;ruthenium

C2H4N2O4Ru — CID 175369443

IUPACnitro 2-aminoacetate;ruthenium
SMILESNCC(=O)O[N+](=O)[O-].[Ru]
InChIInChI=1S/C2H4N2O4.Ru/c3-1-2(5)8-4(6)7;/h1,3H2;
InChIKeyLWNTVSVTIBUYHS-UHFFFAOYSA-N
MW221.13 g/mol
LogP-1.32
Rot. Bonds2

About nitro 2-aminoacetate;ruthenium

nitro 2-aminoacetate;ruthenium (PubChem CID 175369443) has the molecular formula C2H4N2O4Ru and a molecular weight of 221.13 g/mol. Its IUPAC name is nitro 2-aminoacetate;ruthenium.

Molecular Properties

Compound Namenitro 2-aminoacetate;ruthenium
PubChem CID175369443
Molecular FormulaC2H4N2O4Ru
Molecular Weight221.13 g/mol
Exact Mass221.92
IUPAC Namenitro 2-aminoacetate;ruthenium
SMILESNCC(=O)O[N+](=O)[O-].[Ru]
InChIInChI=1S/C2H4N2O4.Ru/c3-1-2(5)8-4(6)7;/h1,3H2;
InChIKeyLWNTVSVTIBUYHS-UHFFFAOYSA-N
XLogP-1.32
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.13
LogP ≤ 5-1.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

nitro 2-hydroxyacetate
CID 141320086
(2-aminoacetyl)oxycarbonyl 2-aminoacetate
CID 57200330
4-O-nitro 1-O-prop-2-enyl butanedioate
CID 174474916
5-nitrooxy-5-oxopentanoic acid
CID 57357084
silver;2-aminoacetic acid;nitrate
CID 87629073
nitro 2-cycloheptylacetate
CID 175609649
amino nitrate;mercury
CID 174849220
amino nitrate;platinum
CID 174487148
alumane;amino nitro carbonate;hydrate
CID 175254737
CID 18415084
CID 18415084
bis(2-aminoacetyl) oxalate
CID 88769554
amino nitrate;guanidine
CID 87093007

Frequently Asked Questions

What is the IUPAC name of nitro 2-aminoacetate;ruthenium?
The IUPAC name of nitro 2-aminoacetate;ruthenium (CID 175369443) is nitro 2-aminoacetate;ruthenium.
What is the SMILES notation for nitro 2-aminoacetate;ruthenium?
The canonical SMILES for nitro 2-aminoacetate;ruthenium is NCC(=O)O[N+](=O)[O-].[Ru].
What is the InChIKey of nitro 2-aminoacetate;ruthenium?
The InChIKey is LWNTVSVTIBUYHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H4N2O4.Ru/c3-1-2(5)8-4(6)7;/h1,3H2;.
What are the key properties of nitro 2-aminoacetate;ruthenium?
nitro 2-aminoacetate;ruthenium has a molecular weight of 221.13 g/mol, XLogP of -1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for nitro 2-aminoacetate;ruthenium is sourced from PubChem (CID 175369443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).