azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate

C10H17N3O8Sr — CID 139894770

IUPACazanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[Sr+2]
InChIInChI=1S/C10H16N2O8.H3N.Sr/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H3;/q;;+2/p-2
InChIKeyBHYBJHGOPXKIOC-UHFFFAOYSA-L
MW394.88 g/mol
LogP-6.08
Rot. Bonds11

About azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate

azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate (PubChem CID 139894770) has the molecular formula C10H17N3O8Sr and a molecular weight of 394.88 g/mol. Its IUPAC name is azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate.

Molecular Properties

Compound Nameazanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
PubChem CID139894770
Molecular FormulaC10H17N3O8Sr
Molecular Weight394.88 g/mol
Exact Mass395.01
IUPAC Nameazanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate
SMILESO=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[Sr+2]
InChIInChI=1S/C10H16N2O8.H3N.Sr/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H3;/q;;+2/p-2
InChIKeyBHYBJHGOPXKIOC-UHFFFAOYSA-L
XLogP-6.08
TPSA200.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.88
LogP ≤ 5-6.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate?
The IUPAC name of azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate (CID 139894770) is azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate.
What is the SMILES notation for azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate?
The canonical SMILES for azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate is O=C([O-])CN(CCN(CC(=O)[O-])CC(=O)O)CC(=O)[O-].[NH4+].[Sr+2].
What is the InChIKey of azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate?
The InChIKey is BHYBJHGOPXKIOC-UHFFFAOYSA-L. The full InChI is InChI=1S/C10H16N2O8.H3N.Sr/c13-7(14)3-11(4-8(15)16)1-2-12(5-9(17)18)6-10(19)20;;/h1-6H2,(H,13,14)(H,15,16)(H,17,18)(H,19,20);1H3;/q;;+2/p-2.
What are the key properties of azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate?
azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate has a molecular weight of 394.88 g/mol, XLogP of -6.08, 11 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;strontium;2-[2-[bis(carboxylatomethyl)amino]ethyl-(carboxymethyl)amino]acetate is sourced from PubChem (CID 139894770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).