2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc

C8H13NO10Zn — CID 87634826

IUPAC2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc
SMILESNCC(=O)O.O=C(O)CC(O)(C(=O)O)C(O)C(=O)O.[Zn]
InChIInChI=1S/C6H8O8.C2H5NO2.Zn/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;3-1-2(4)5;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);1,3H2,(H,4,5);
InChIKeySURRBOSIWMHZNK-UHFFFAOYSA-N
MW348.58 g/mol
LogP-3.25
Rot. Bonds6

About 2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc

2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc (PubChem CID 87634826) has the molecular formula C8H13NO10Zn and a molecular weight of 348.58 g/mol. Its IUPAC name is 2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc.

Molecular Properties

Compound Name2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc
PubChem CID87634826
Molecular FormulaC8H13NO10Zn
Molecular Weight348.58 g/mol
Exact Mass346.98
IUPAC Name2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc
SMILESNCC(=O)O.O=C(O)CC(O)(C(=O)O)C(O)C(=O)O.[Zn]
InChIInChI=1S/C6H8O8.C2H5NO2.Zn/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;3-1-2(4)5;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);1,3H2,(H,4,5);
InChIKeySURRBOSIWMHZNK-UHFFFAOYSA-N
XLogP-3.25
TPSA215.68 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.58
LogP ≤ 5-3.25
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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1-carboxyoxy-2-hydroxypropane-1,2,3-tricarboxylic acid
CID 87350226
2-hydroxy-4-phenylbutane-1,2,3-tricarboxylic acid
CID 21197230
1-ethoxy-2-hydroxypropane-1,2,3-tricarboxylic acid
CID 56606822
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CID 175499703
2-aminoacetic acid;cadmium
CID 87269769
bis(2-aminoacetic acid);copper
CID 50912486

Frequently Asked Questions

What is the IUPAC name of 2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc?
The IUPAC name of 2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc (CID 87634826) is 2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc.
What is the SMILES notation for 2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc?
The canonical SMILES for 2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc is NCC(=O)O.O=C(O)CC(O)(C(=O)O)C(O)C(=O)O.[Zn].
What is the InChIKey of 2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc?
The InChIKey is SURRBOSIWMHZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O8.C2H5NO2.Zn/c7-2(8)1-6(14,5(12)13)3(9)4(10)11;3-1-2(4)5;/h3,9,14H,1H2,(H,7,8)(H,10,11)(H,12,13);1,3H2,(H,4,5);.
What are the key properties of 2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc?
2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc has a molecular weight of 348.58 g/mol, XLogP of -3.25, 6 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoacetic acid;1,2-dihydroxypropane-1,2,3-tricarboxylic acid;zinc is sourced from PubChem (CID 87634826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).