benzoic acid;2-(dimethylamino)acetic acid;zinc

C11H15NO4Zn — CID 158543723

IUPACbenzoic acid;2-(dimethylamino)acetic acid;zinc
SMILESCN(C)CC(=O)O.O=C(O)c1ccccc1.[Zn]
InChIInChI=1S/C7H6O2.C4H9NO2.Zn/c8-7(9)6-4-2-1-3-5-6;1-5(2)3-4(6)7;/h1-5H,(H,8,9);3H2,1-2H3,(H,6,7);
InChIKeyHOVQOYJXPUTWER-UHFFFAOYSA-N
MW290.63 g/mol
LogP1.01
Rot. Bonds3

About benzoic acid;2-(dimethylamino)acetic acid;zinc

benzoic acid;2-(dimethylamino)acetic acid;zinc (PubChem CID 158543723) has the molecular formula C11H15NO4Zn and a molecular weight of 290.63 g/mol. Its IUPAC name is benzoic acid;2-(dimethylamino)acetic acid;zinc.

Molecular Properties

Compound Namebenzoic acid;2-(dimethylamino)acetic acid;zinc
PubChem CID158543723
Molecular FormulaC11H15NO4Zn
Molecular Weight290.63 g/mol
Exact Mass289.03
IUPAC Namebenzoic acid;2-(dimethylamino)acetic acid;zinc
SMILESCN(C)CC(=O)O.O=C(O)c1ccccc1.[Zn]
InChIInChI=1S/C7H6O2.C4H9NO2.Zn/c8-7(9)6-4-2-1-3-5-6;1-5(2)3-4(6)7;/h1-5H,(H,8,9);3H2,1-2H3,(H,6,7);
InChIKeyHOVQOYJXPUTWER-UHFFFAOYSA-N
XLogP1.01
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzoic acid;2-(dimethylamino)acetic acid;zinc?
The IUPAC name of benzoic acid;2-(dimethylamino)acetic acid;zinc (CID 158543723) is benzoic acid;2-(dimethylamino)acetic acid;zinc.
What is the SMILES notation for benzoic acid;2-(dimethylamino)acetic acid;zinc?
The canonical SMILES for benzoic acid;2-(dimethylamino)acetic acid;zinc is CN(C)CC(=O)O.O=C(O)c1ccccc1.[Zn].
What is the InChIKey of benzoic acid;2-(dimethylamino)acetic acid;zinc?
The InChIKey is HOVQOYJXPUTWER-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O2.C4H9NO2.Zn/c8-7(9)6-4-2-1-3-5-6;1-5(2)3-4(6)7;/h1-5H,(H,8,9);3H2,1-2H3,(H,6,7);.
What are the key properties of benzoic acid;2-(dimethylamino)acetic acid;zinc?
benzoic acid;2-(dimethylamino)acetic acid;zinc has a molecular weight of 290.63 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzoic acid;2-(dimethylamino)acetic acid;zinc is sourced from PubChem (CID 158543723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).