carboxymethylazanium;tetrakis(oxygen(2-));rhenium

C4H12N2O8Re-6 — CID 139075871

IUPACcarboxymethylazanium;tetrakis(oxygen(2-));rhenium
SMILES[NH3+]CC(=O)O.[NH3+]CC(=O)O.[O-2].[O-2].[O-2].[O-2].[Re]
InChIInChI=1S/2C2H5NO2.4O.Re/c2*3-1-2(4)5;;;;;/h2*1,3H2,(H,4,5);;;;;/q;;4*-2;/p+2
InChIKeyDGLHJKGLJGDYSL-UHFFFAOYSA-P
MW402.35 g/mol
LogP-3.85
Rot. Bonds2

About carboxymethylazanium;tetrakis(oxygen(2-));rhenium

carboxymethylazanium;tetrakis(oxygen(2-));rhenium (PubChem CID 139075871) has the molecular formula C4H12N2O8Re-6 and a molecular weight of 402.35 g/mol. Its IUPAC name is carboxymethylazanium;tetrakis(oxygen(2-));rhenium.

Molecular Properties

Compound Namecarboxymethylazanium;tetrakis(oxygen(2-));rhenium
PubChem CID139075871
Molecular FormulaC4H12N2O8Re-6
Molecular Weight402.35 g/mol
Exact Mass403.02
IUPAC Namecarboxymethylazanium;tetrakis(oxygen(2-));rhenium
SMILES[NH3+]CC(=O)O.[NH3+]CC(=O)O.[O-2].[O-2].[O-2].[O-2].[Re]
InChIInChI=1S/2C2H5NO2.4O.Re/c2*3-1-2(4)5;;;;;/h2*1,3H2,(H,4,5);;;;;/q;;4*-2;/p+2
InChIKeyDGLHJKGLJGDYSL-UHFFFAOYSA-P
XLogP-3.85
TPSA243.88 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.35
LogP ≤ 5-3.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

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Related Compounds

(2-amino-2-oxoethyl)azanium chloride
CID 10920470
oxotitanium;propanoic acid
CID 174052944
bis(2-azaniumylacetate);hydroxyazanium;chloride
CID 139206260
CID 58094720
CID 58094720
tetraaluminum;tris(hexanedioic acid);tris(oxygen(2-))
CID 173437830
[(2R)-1-azaniumyl-3-carboxypropan-2-yl]azanium
CID 59088209
(3E)-3-amino-3-hydroxyiminopropanoic acid;(3Z)-3-amino-3-hydroxyiminopropanoic acid
CID 158833017
bis([2-(carboxymethylamino)-2-oxoethyl]azanium);oxalate
CID 139058986
azane;butanedioic acid
CID 87070561
trisodium;butanedioic acid
CID 175698490
bis(butanedioic acid);carbonic acid
CID 159577506
CID 87073401
CID 87073401

Frequently Asked Questions

What is the IUPAC name of carboxymethylazanium;tetrakis(oxygen(2-));rhenium?
The IUPAC name of carboxymethylazanium;tetrakis(oxygen(2-));rhenium (CID 139075871) is carboxymethylazanium;tetrakis(oxygen(2-));rhenium.
What is the SMILES notation for carboxymethylazanium;tetrakis(oxygen(2-));rhenium?
The canonical SMILES for carboxymethylazanium;tetrakis(oxygen(2-));rhenium is [NH3+]CC(=O)O.[NH3+]CC(=O)O.[O-2].[O-2].[O-2].[O-2].[Re].
What is the InChIKey of carboxymethylazanium;tetrakis(oxygen(2-));rhenium?
The InChIKey is DGLHJKGLJGDYSL-UHFFFAOYSA-P. The full InChI is InChI=1S/2C2H5NO2.4O.Re/c2*3-1-2(4)5;;;;;/h2*1,3H2,(H,4,5);;;;;/q;;4*-2;/p+2.
What are the key properties of carboxymethylazanium;tetrakis(oxygen(2-));rhenium?
carboxymethylazanium;tetrakis(oxygen(2-));rhenium has a molecular weight of 402.35 g/mol, XLogP of -3.85, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carboxymethylazanium;tetrakis(oxygen(2-));rhenium is sourced from PubChem (CID 139075871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).