zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate

C6H9NO5Zn — CID 88633119

IUPACzinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate
SMILESCCN(CC(=O)[O-])C(O)C(=O)[O-].[Zn+2]
InChIInChI=1S/C6H11NO5.Zn/c1-2-7(3-4(8)9)5(10)6(11)12;/h5,10H,2-3H2,1H3,(H,8,9)(H,11,12);/q;+2/p-2
InChIKeyXCWOWJUDIHTDIQ-UHFFFAOYSA-L
MW240.53 g/mol
LogP-3.88
Rot. Bonds5

About zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate

zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate (PubChem CID 88633119) has the molecular formula C6H9NO5Zn and a molecular weight of 240.53 g/mol. Its IUPAC name is zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate.

Molecular Properties

Compound Namezinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate
PubChem CID88633119
Molecular FormulaC6H9NO5Zn
Molecular Weight240.53 g/mol
Exact Mass238.98
IUPAC Namezinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate
SMILESCCN(CC(=O)[O-])C(O)C(=O)[O-].[Zn+2]
InChIInChI=1S/C6H11NO5.Zn/c1-2-7(3-4(8)9)5(10)6(11)12;/h5,10H,2-3H2,1H3,(H,8,9)(H,11,12);/q;+2/p-2
InChIKeyXCWOWJUDIHTDIQ-UHFFFAOYSA-L
XLogP-3.88
TPSA103.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.53
LogP ≤ 5-3.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

disodium;2-[carboxylatomethyl(1-hydroxyethyl)amino]acetate
CID 22151994
trisodium;2-[bis(carboxylatomethyl)amino]propanoate;hydrate
CID 70699979
2-[bis(carboxylatomethyl)amino]-4,4-dimethylpentanoate
CID 176841247
sodium;2-[2-[bis(carboxylatomethyl)amino]propyl-(carboxylatomethyl)amino]acetate;samarium(3+)
CID 72992136
disodium;2-[[(1S)-1-carboxy-2-hydroxyethyl]-(carboxylatomethyl)amino]acetate
CID 159253768
magnesium;zinc;propanoate
CID 22462046
2,3-dihydroxypropanoate triacetate
CID 22325987
calcium;disodium;(2S)-2-[bis(carboxylatomethyl)amino]pentanedioate
CID 139816713
disodium;2-[2-(diethylamino)butyl]propanedioate
CID 118386797
sodium;2-[[(2S)-1-[bis(carboxymethyl)amino]propan-2-yl]-(carboxymethyl)amino]acetate;samarium
CID 164512797
tris(2-hydroxypropanoate);yttrium(3+)
CID 14619044
sodium 2-[bis(2-hydroxypropyl)amino]acetate
CID 23683241

Frequently Asked Questions

What is the IUPAC name of zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate?
The IUPAC name of zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate (CID 88633119) is zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate.
What is the SMILES notation for zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate?
The canonical SMILES for zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate is CCN(CC(=O)[O-])C(O)C(=O)[O-].[Zn+2].
What is the InChIKey of zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate?
The InChIKey is XCWOWJUDIHTDIQ-UHFFFAOYSA-L. The full InChI is InChI=1S/C6H11NO5.Zn/c1-2-7(3-4(8)9)5(10)6(11)12;/h5,10H,2-3H2,1H3,(H,8,9)(H,11,12);/q;+2/p-2.
What are the key properties of zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate?
zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate has a molecular weight of 240.53 g/mol, XLogP of -3.88, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for zinc 2-[carboxylatomethyl(ethyl)amino]-2-hydroxyacetate is sourced from PubChem (CID 88633119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).