azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium

C11H12N3O6Re+ — CID 10344552

IUPACazanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium
SMILESN#[O+].O=C(O)CN(CC(=O)O)Cc1ccccn1.[C-]#[O+].[Re]
InChIInChI=1S/C10H12N2O4.CO.NO.Re/c13-9(14)6-12(7-10(15)16)5-8-3-1-2-4-11-8;2*1-2;/h1-4H,5-7H2,(H,13,14)(H,15,16);;;/q;;+1;
InChIKeyIGMZWIKSRNZJDE-UHFFFAOYSA-N
MW468.44 g/mol
LogP-0.09
Rot. Bonds6

About azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium

azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium (PubChem CID 10344552) has the molecular formula C11H12N3O6Re+ and a molecular weight of 468.44 g/mol. Its IUPAC name is azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium.

Molecular Properties

Compound Nameazanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium
PubChem CID10344552
Molecular FormulaC11H12N3O6Re+
Molecular Weight468.44 g/mol
Exact Mass469.03
IUPAC Nameazanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium
SMILESN#[O+].O=C(O)CN(CC(=O)O)Cc1ccccn1.[C-]#[O+].[Re]
InChIInChI=1S/C10H12N2O4.CO.NO.Re/c13-9(14)6-12(7-10(15)16)5-8-3-1-2-4-11-8;2*1-2;/h1-4H,5-7H2,(H,13,14)(H,15,16);;;/q;;+1;
InChIKeyIGMZWIKSRNZJDE-UHFFFAOYSA-N
XLogP-0.09
TPSA154.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
15-[carboxymethyl(pyridin-2-ylmethyl)amino]pentadecanoic acid
CID 90804342
2-[[3-[[bis(pyridin-2-ylmethyl)amino]methyl]-2-hydroxy-5-methylphenyl]methyl-(carboxymethyl)amino]acetic acid
CID 91238369
2-[bis[2-[carboxymethyl-[2-[2-[carboxymethyl(pyridin-2-ylmethyl)amino]ethylamino]-2-oxoethyl]amino]ethyl]amino]acetic acid
CID 101405847
2-[(4,5-dimethylthiophen-3-yl)methyl-(pyridin-2-ylmethyl)amino]acetic acid
CID 166268238
osmium;pyridine-2-carboxylic acid;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 171575278
2-amino-6-[carboxymethyl(pyridin-2-ylmethyl)amino]hexanoic acid
CID 59550352
copper;1-pyridin-2-yl-N,N-bis(pyridin-2-ylmethyl)methanamine
CID 130339696
3-[ethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 61010631
8-[bis(pyridin-2-ylmethyl)amino]octanoic acid
CID 67061848
3-[cyanomethyl(pyridin-2-ylmethyl)amino]propanoic acid
CID 82328509
2-[[(1R,2R)-2-[bis(carboxymethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 176507613

Frequently Asked Questions

What is the IUPAC name of azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium?
The IUPAC name of azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium (CID 10344552) is azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium.
What is the SMILES notation for azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium?
The canonical SMILES for azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium is N#[O+].O=C(O)CN(CC(=O)O)Cc1ccccn1.[C-]#[O+].[Re].
What is the InChIKey of azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium?
The InChIKey is IGMZWIKSRNZJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O4.CO.NO.Re/c13-9(14)6-12(7-10(15)16)5-8-3-1-2-4-11-8;2*1-2;/h1-4H,5-7H2,(H,13,14)(H,15,16);;;/q;;+1;.
What are the key properties of azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium?
azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium has a molecular weight of 468.44 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for azanylidyneoxidanium;carbon monoxide;2-[carboxymethyl(pyridin-2-ylmethyl)amino]acetic acid;rhenium is sourced from PubChem (CID 10344552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).