iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid

C17H22FeN4O2 — CID 137349673

IUPACiron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCN(CCN(CC(=O)O)Cc1ccccn1)Cc1ccccn1.[Fe]
InChIInChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16;/h2-9H,10-14H2,1H3,(H,22,23);
InChIKeyUALVLVMVVATNBG-UHFFFAOYSA-N
MW370.23 g/mol
LogP1.49
Rot. Bonds9

About iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid

iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid (PubChem CID 137349673) has the molecular formula C17H22FeN4O2 and a molecular weight of 370.23 g/mol. Its IUPAC name is iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid.

Molecular Properties

Compound Nameiron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid
PubChem CID137349673
Molecular FormulaC17H22FeN4O2
Molecular Weight370.23 g/mol
Exact Mass370.11
IUPAC Nameiron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid
SMILESCN(CCN(CC(=O)O)Cc1ccccn1)Cc1ccccn1.[Fe]
InChIInChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16;/h2-9H,10-14H2,1H3,(H,22,23);
InChIKeyUALVLVMVVATNBG-UHFFFAOYSA-N
XLogP1.49
TPSA69.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.23
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

iron(2+);2-[[(1S,2S)-2-[methyl(pyridin-2-ylmethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 72200854
{2,2'-[(1r,2r)-Cyclohexane-1,2-Diylbis{[(Pyridin-2-Yl-Kappan)methyl]imino-Kappan}]diacetato-Kappao(2-)}iron
CID 135566694
2-(4,7-Bis(2-pyridylmethyl)-1,4,7-triazacyclononan-1-yl)acetic acid
CID 19359083
2-[2-[Methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid
CID 71300314
2-[2-[Bis(pyridin-2-ylmethyl)amino]ethyl-methylamino]acetic acid
CID 91211814
2-[[(1S)-2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]iminoethyl]-(pyridin-2-ylmethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]acetic acid;iron(2+)
CID 171527467
carbanide;2-[[(1S)-2-[[2-hydroxy-2-[3-(trifluoromethyl)phenyl]iminoethyl]-(pyridin-2-ylmethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]acetic acid;iron(3+)
CID 171527477
iron(2+);2-[[(1S,2S)-2-[methyl(pyridin-2-ylmethyl)amino]cyclohexyl]-(pyridin-2-ylmethyl)amino]acetic acid
CID 135566695
{(S)-N-(2-{methyl[(Pyridin-2-Yl-Kappan)methyl]amino-Kappan}ethyl)-N-[(Pyridin-2-Yl-Kappan)methyl]glycinato-Kappa~2~n,O}iron(2+)
CID 135566793
Fe(1R,2R)-N,N'-Bis(2-pyridylmethyl)-N,N'-dicarboxymethyl-1,2-cyclohexanediamine
CID 137349670
{(R)-N-[(1s,2s)-2-{methyl[(Pyridin-2-Yl-Kappan)methyl]amino-Kappan}cyclohexyl]-N-[(Pyridin-2-Yl-Kappan)methyl]glycinato-Kappa~2~n,O}iron(2+)
CID 137349671
Bis(2-aminoacetate);nickel(2+);2-pyridin-2-ylpyridine;trihydrate
CID 139054272

Frequently Asked Questions

What is the IUPAC name of iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid?
The IUPAC name of iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid (CID 137349673) is iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid.
What is the SMILES notation for iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid?
The canonical SMILES for iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid is CN(CCN(CC(=O)O)Cc1ccccn1)Cc1ccccn1.[Fe].
What is the InChIKey of iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid?
The InChIKey is UALVLVMVVATNBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.Fe/c1-20(12-15-6-2-4-8-18-15)10-11-21(14-17(22)23)13-16-7-3-5-9-19-16;/h2-9H,10-14H2,1H3,(H,22,23);.
What are the key properties of iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid?
iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid has a molecular weight of 370.23 g/mol, XLogP of 1.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for iron;2-[2-[methyl(pyridin-2-ylmethyl)amino]ethyl-(pyridin-2-ylmethyl)amino]acetic acid is sourced from PubChem (CID 137349673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).