2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper

C8H14CuN2O6 — CID 155766345

IUPAC2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper
SMILESO=C(O)CNCCN(CC(=O)O)CC(=O)O.[Cu]
InChIInChI=1S/C8H14N2O6.Cu/c11-6(12)3-9-1-2-10(4-7(13)14)5-8(15)16;/h9H,1-5H2,(H,11,12)(H,13,14)(H,15,16);
InChIKeyOVYZLVLKNSVUOX-UHFFFAOYSA-N
MW297.75 g/mol
LogP-1.87
Rot. Bonds9

About 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper

2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper (PubChem CID 155766345) has the molecular formula C8H14CuN2O6 and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper.

Molecular Properties

Compound Name2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper
PubChem CID155766345
Molecular FormulaC8H14CuN2O6
Molecular Weight297.75 g/mol
Exact Mass297.01
IUPAC Name2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper
SMILESO=C(O)CNCCN(CC(=O)O)CC(=O)O.[Cu]
InChIInChI=1S/C8H14N2O6.Cu/c11-6(12)3-9-1-2-10(4-7(13)14)5-8(15)16;/h9H,1-5H2,(H,11,12)(H,13,14)(H,15,16);
InChIKeyOVYZLVLKNSVUOX-UHFFFAOYSA-N
XLogP-1.87
TPSA127.17 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 5-1.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[carboxymethyl(2-oxopropyl)amino]ethylamino]acetic acid
CID 89065642
2-[2-[carboxymethyl(propyl)amino]ethylamino]acetic acid
CID 143929196
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2,2-dihydroxyethyl)amino]ethylamino]acetic acid
CID 163564559
2-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(2-methylpropyl)amino]ethylamino]acetic acid
CID 163563898
2-[(2-methoxy-2-oxoethyl)-[2-[(2-methoxy-2-oxoethyl)amino]ethyl]amino]acetic acid
CID 23196993
2-[2-[2-[tert-butyl-[2-(carboxymethylamino)ethyl]amino]ethyl-(carboxymethyl)amino]ethylamino]acetic acid
CID 163915904
3-[2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl-ethylamino]ethyl-propylamino]propanoic acid
CID 130195991
2-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethylamino]-5-oxohexanoic acid
CID 174336280
2-[bis[2-[bis(carboxymethyl)amino]ethyl]amino]acetic acid;2-[2-[bis(carboxymethyl)amino]ethyl-[2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]ethyl]amino]acetic acid;molecular hydrogen
CID 160537097
CID 176507832
CID 176507832
2-[2-[carboxymethyl-[2-[carboxymethyl-[2-(carboxymethylamino)ethyl]amino]ethyl]amino]ethyl-(2-oxoethyl)amino]ethylazanide;propane;yttrium
CID 162738248

Frequently Asked Questions

What is the IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper?
The IUPAC name of 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper (CID 155766345) is 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper.
What is the SMILES notation for 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper?
The canonical SMILES for 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper is O=C(O)CNCCN(CC(=O)O)CC(=O)O.[Cu].
What is the InChIKey of 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper?
The InChIKey is OVYZLVLKNSVUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O6.Cu/c11-6(12)3-9-1-2-10(4-7(13)14)5-8(15)16;/h9H,1-5H2,(H,11,12)(H,13,14)(H,15,16);.
What are the key properties of 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper?
2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper has a molecular weight of 297.75 g/mol, XLogP of -1.87, 9 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[bis(carboxymethyl)amino]ethylamino]acetic acid;copper is sourced from PubChem (CID 155766345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).