copper;2-(dimethylamino)acetic acid;dibenzoate

C18H19CuNO6 — CID 174914770

IUPACcopper;2-(dimethylamino)acetic acid;dibenzoate
SMILESCN(C)CC(=O)O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2]
InChIInChI=1S/2C7H6O2.C4H9NO2.Cu/c2*8-7(9)6-4-2-1-3-5-6;1-5(2)3-4(6)7;/h2*1-5H,(H,8,9);3H2,1-2H3,(H,6,7);/q;;;+2/p-2
InChIKeyLWUHSMNYYSLVOQ-UHFFFAOYSA-L
MW408.90 g/mol
LogP-0.27
Rot. Bonds4

About copper;2-(dimethylamino)acetic acid;dibenzoate

copper;2-(dimethylamino)acetic acid;dibenzoate (PubChem CID 174914770) has the molecular formula C18H19CuNO6 and a molecular weight of 408.90 g/mol. Its IUPAC name is copper;2-(dimethylamino)acetic acid;dibenzoate.

Molecular Properties

Compound Namecopper;2-(dimethylamino)acetic acid;dibenzoate
PubChem CID174914770
Molecular FormulaC18H19CuNO6
Molecular Weight408.90 g/mol
Exact Mass408.05
IUPAC Namecopper;2-(dimethylamino)acetic acid;dibenzoate
SMILESCN(C)CC(=O)O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2]
InChIInChI=1S/2C7H6O2.C4H9NO2.Cu/c2*8-7(9)6-4-2-1-3-5-6;1-5(2)3-4(6)7;/h2*1-5H,(H,8,9);3H2,1-2H3,(H,6,7);/q;;;+2/p-2
InChIKeyLWUHSMNYYSLVOQ-UHFFFAOYSA-L
XLogP-0.27
TPSA120.80 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.90
LogP ≤ 5-0.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

benzoic acid;2-(dimethylamino)acetic acid;zinc
CID 158543723
sodium;2-[2-[bis(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetic acid;benzoate
CID 174836558
ethane;benzoate
CID 161103305
copper;zinc;tetrabenzoate
CID 174787917
ethane;benzoate
CID 90830280
fluoromethane benzoate
CID 162095004
barium(2+) benzoate
CID 22608800
cobalt(3+) tribenzoate
CID 20537733
cerium(3+) tribenzoate
CID 6452877
aluminum dibenzoate
CID 18679092
benzoate tetrahydrate
CID 18510013
platinum(4+) tetrabenzoate
CID 173022810

Frequently Asked Questions

What is the IUPAC name of copper;2-(dimethylamino)acetic acid;dibenzoate?
The IUPAC name of copper;2-(dimethylamino)acetic acid;dibenzoate (CID 174914770) is copper;2-(dimethylamino)acetic acid;dibenzoate.
What is the SMILES notation for copper;2-(dimethylamino)acetic acid;dibenzoate?
The canonical SMILES for copper;2-(dimethylamino)acetic acid;dibenzoate is CN(C)CC(=O)O.O=C([O-])c1ccccc1.O=C([O-])c1ccccc1.[Cu+2].
What is the InChIKey of copper;2-(dimethylamino)acetic acid;dibenzoate?
The InChIKey is LWUHSMNYYSLVOQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2C7H6O2.C4H9NO2.Cu/c2*8-7(9)6-4-2-1-3-5-6;1-5(2)3-4(6)7;/h2*1-5H,(H,8,9);3H2,1-2H3,(H,6,7);/q;;;+2/p-2.
What are the key properties of copper;2-(dimethylamino)acetic acid;dibenzoate?
copper;2-(dimethylamino)acetic acid;dibenzoate has a molecular weight of 408.90 g/mol, XLogP of -0.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for copper;2-(dimethylamino)acetic acid;dibenzoate is sourced from PubChem (CID 174914770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).