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

C12H22CuN6O8 — CID 138811135

IUPACbis(2-[bis(2-aminoacetyl)amino]acetic acid);copper
SMILESNCC(=O)N(CC(=O)O)C(=O)CN.NCC(=O)N(CC(=O)O)C(=O)CN.[Cu]
InChIInChI=1S/2C6H11N3O4.Cu/c2*7-1-4(10)9(3-6(12)13)5(11)2-8;/h2*1-3,7-8H2,(H,12,13);
InChIKeyCNZACOPBFHADGM-UHFFFAOYSA-N
MW441.89 g/mol
LogP-5.32
Rot. Bonds8

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

bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper (PubChem CID 138811135) has the molecular formula C12H22CuN6O8 and a molecular weight of 441.89 g/mol. Its IUPAC name is bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper.

Molecular Properties

Compound Namebis(2-[bis(2-aminoacetyl)amino]acetic acid);copper
PubChem CID138811135
Molecular FormulaC12H22CuN6O8
Molecular Weight441.89 g/mol
Exact Mass441.08
IUPAC Namebis(2-[bis(2-aminoacetyl)amino]acetic acid);copper
SMILESNCC(=O)N(CC(=O)O)C(=O)CN.NCC(=O)N(CC(=O)O)C(=O)CN.[Cu]
InChIInChI=1S/2C6H11N3O4.Cu/c2*7-1-4(10)9(3-6(12)13)5(11)2-8;/h2*1-3,7-8H2,(H,12,13);
InChIKeyCNZACOPBFHADGM-UHFFFAOYSA-N
XLogP-5.32
TPSA253.44 Ų
H-Bond Donors6
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.89
LogP ≤ 5-5.32
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper?
The IUPAC name of bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper (CID 138811135) is bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper.
What is the SMILES notation for bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper?
The canonical SMILES for bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper is NCC(=O)N(CC(=O)O)C(=O)CN.NCC(=O)N(CC(=O)O)C(=O)CN.[Cu].
What is the InChIKey of bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper?
The InChIKey is CNZACOPBFHADGM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H11N3O4.Cu/c2*7-1-4(10)9(3-6(12)13)5(11)2-8;/h2*1-3,7-8H2,(H,12,13);.
What are the key properties of bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper?
bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper has a molecular weight of 441.89 g/mol, XLogP of -5.32, 8 rotatable bonds, 6 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-[bis(2-aminoacetyl)amino]acetic acid);copper is sourced from PubChem (CID 138811135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).