ethyl 2-aminoacetate;zirconium

C4H9NO2Zr — CID 174594488

IUPACethyl 2-aminoacetate;zirconium
SMILESCCOC(=O)CN.[Zr]
InChIInChI=1S/C4H9NO2.Zr/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;
InChIKeyLPRLQJKTLWIOBG-UHFFFAOYSA-N
MW194.34 g/mol
LogP-0.49
Rot. Bonds2

About ethyl 2-aminoacetate;zirconium

ethyl 2-aminoacetate;zirconium (PubChem CID 174594488) has the molecular formula C4H9NO2Zr and a molecular weight of 194.34 g/mol. Its IUPAC name is ethyl 2-aminoacetate;zirconium.

Molecular Properties

Compound Nameethyl 2-aminoacetate;zirconium
PubChem CID174594488
Molecular FormulaC4H9NO2Zr
Molecular Weight194.34 g/mol
Exact Mass192.97
IUPAC Nameethyl 2-aminoacetate;zirconium
SMILESCCOC(=O)CN.[Zr]
InChIInChI=1S/C4H9NO2.Zr/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;
InChIKeyLPRLQJKTLWIOBG-UHFFFAOYSA-N
XLogP-0.49
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.34
LogP ≤ 5-0.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-aminoacetate;zirconium?
The IUPAC name of ethyl 2-aminoacetate;zirconium (CID 174594488) is ethyl 2-aminoacetate;zirconium.
What is the SMILES notation for ethyl 2-aminoacetate;zirconium?
The canonical SMILES for ethyl 2-aminoacetate;zirconium is CCOC(=O)CN.[Zr].
What is the InChIKey of ethyl 2-aminoacetate;zirconium?
The InChIKey is LPRLQJKTLWIOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2.Zr/c1-2-7-4(6)3-5;/h2-3,5H2,1H3;.
What are the key properties of ethyl 2-aminoacetate;zirconium?
ethyl 2-aminoacetate;zirconium has a molecular weight of 194.34 g/mol, XLogP of -0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-aminoacetate;zirconium is sourced from PubChem (CID 174594488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).