azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese

C6H13MnN2O6+ — CID 71301305

IUPACazanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
SMILESO=C(O)CN(CC(=O)O)CC(=O)O.[Mn].[NH4+]
InChIInChI=1S/C6H9NO6.Mn.H3N/c8-4(9)1-7(2-5(10)11)3-6(12)13;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;1H3/p+1
InChIKeyUVWURPKOEPNXPN-UHFFFAOYSA-O
MW264.12 g/mol
LogP-1.08
Rot. Bonds6

About azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese

azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese (PubChem CID 71301305) has the molecular formula C6H13MnN2O6+ and a molecular weight of 264.12 g/mol. Its IUPAC name is azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese.

Molecular Properties

Compound Nameazanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
PubChem CID71301305
Molecular FormulaC6H13MnN2O6+
Molecular Weight264.12 g/mol
Exact Mass264.01
IUPAC Nameazanium;2-[bis(carboxymethyl)amino]acetic acid;manganese
SMILESO=C(O)CN(CC(=O)O)CC(=O)O.[Mn].[NH4+]
InChIInChI=1S/C6H9NO6.Mn.H3N/c8-4(9)1-7(2-5(10)11)3-6(12)13;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;1H3/p+1
InChIKeyUVWURPKOEPNXPN-UHFFFAOYSA-O
XLogP-1.08
TPSA151.64 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 23617736
bis(2-[bis(carboxymethyl)amino]acetic acid);sulfane
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2-[bis(carboxymethyl)amino]acetic acid;N,N-dimethylmethanamine
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2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;iron;manganese
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CID 172753186
azane;2-[bis(hydroxymethyl)amino]acetic acid
CID 87594237
CID 131881711
CID 131881711
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CID 162336121

Frequently Asked Questions

What is the IUPAC name of azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese?
The IUPAC name of azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese (CID 71301305) is azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese.
What is the SMILES notation for azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese?
The canonical SMILES for azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese is O=C(O)CN(CC(=O)O)CC(=O)O.[Mn].[NH4+].
What is the InChIKey of azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese?
The InChIKey is UVWURPKOEPNXPN-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H9NO6.Mn.H3N/c8-4(9)1-7(2-5(10)11)3-6(12)13;;/h1-3H2,(H,8,9)(H,10,11)(H,12,13);;1H3/p+1.
What are the key properties of azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese?
azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese has a molecular weight of 264.12 g/mol, XLogP of -1.08, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azanium;2-[bis(carboxymethyl)amino]acetic acid;manganese is sourced from PubChem (CID 71301305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).