copper;2-aminoacetate;2-carboxyphenolate

C9H9CuNO5 — CID 54741776

IUPACcopper;2-aminoacetate;2-carboxyphenolate
SMILESNCC(=O)[O-].O=C(O)c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C7H6O3.C2H5NO2.Cu/c8-6-4-2-1-3-5(6)7(9)10;3-1-2(4)5;/h1-4,8H,(H,9,10);1,3H2,(H,4,5);/q;;+2/p-2
InChIKeyIGVJBNOWYCUJOG-UHFFFAOYSA-L
MW274.72 g/mol
LogP-1.85
Rot. Bonds2

About copper;2-aminoacetate;2-carboxyphenolate

copper;2-aminoacetate;2-carboxyphenolate (PubChem CID 54741776) has the molecular formula C9H9CuNO5 and a molecular weight of 274.72 g/mol. Its IUPAC name is copper;2-aminoacetate;2-carboxyphenolate.

Molecular Properties

Compound Namecopper;2-aminoacetate;2-carboxyphenolate
PubChem CID54741776
Molecular FormulaC9H9CuNO5
Molecular Weight274.72 g/mol
Exact Mass273.98
IUPAC Namecopper;2-aminoacetate;2-carboxyphenolate
SMILESNCC(=O)[O-].O=C(O)c1ccccc1[O-].[Cu+2]
InChIInChI=1S/C7H6O3.C2H5NO2.Cu/c8-6-4-2-1-3-5(6)7(9)10;3-1-2(4)5;/h1-4,8H,(H,9,10);1,3H2,(H,4,5);/q;;+2/p-2
InChIKeyIGVJBNOWYCUJOG-UHFFFAOYSA-L
XLogP-1.85
TPSA126.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.72
LogP ≤ 5-1.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

copper bis(2-carboxyphenolate)
CID 54683201
2-carboxyphenolate carbonate
CID 54676053
dicalcium bis(2-carboxyphenolate)
CID 158572383
2-carboxyphenolate;gold(1+)
CID 54682314
potassium 2-carboxyphenolate
CID 23689489
dimagnesium;tetrakis(2-carboxyphenolate)
CID 158207180
dilithium bis(2-carboxyphenolate)
CID 54690284
magnesium tris(2-carboxyphenolate)
CID 54714197
triazanium;tris(2-carboxyphenolate)
CID 172802459
magnesium bis(2-carboxyphenolate)
CID 54684589
magnesium;bis(2-carboxyphenolate);trihydrate
CID 172729284
diazanium;bis(2-carboxyphenolate);oxovanadium
CID 173457908

Frequently Asked Questions

What is the IUPAC name of copper;2-aminoacetate;2-carboxyphenolate?
The IUPAC name of copper;2-aminoacetate;2-carboxyphenolate (CID 54741776) is copper;2-aminoacetate;2-carboxyphenolate.
What is the SMILES notation for copper;2-aminoacetate;2-carboxyphenolate?
The canonical SMILES for copper;2-aminoacetate;2-carboxyphenolate is NCC(=O)[O-].O=C(O)c1ccccc1[O-].[Cu+2].
What is the InChIKey of copper;2-aminoacetate;2-carboxyphenolate?
The InChIKey is IGVJBNOWYCUJOG-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H6O3.C2H5NO2.Cu/c8-6-4-2-1-3-5(6)7(9)10;3-1-2(4)5;/h1-4,8H,(H,9,10);1,3H2,(H,4,5);/q;;+2/p-2.
What are the key properties of copper;2-aminoacetate;2-carboxyphenolate?
copper;2-aminoacetate;2-carboxyphenolate has a molecular weight of 274.72 g/mol, XLogP of -1.85, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-aminoacetate;2-carboxyphenolate is sourced from PubChem (CID 54741776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).