ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate

C8H15N3O4 — CID 7020070

IUPACethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)CN
InChIInChI=1S/C8H15N3O4/c1-2-15-8(14)5-11-7(13)4-10-6(12)3-9/h2-5,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyZAYKMXMHMVCLSJ-UHFFFAOYSA-N
MW217.22 g/mol
LogP-2.26
Rot. Bonds6

About ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate

ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate (PubChem CID 7020070) has the molecular formula C8H15N3O4 and a molecular weight of 217.22 g/mol. Its IUPAC name is ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate.

Molecular Properties

Compound Nameethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
PubChem CID7020070
Molecular FormulaC8H15N3O4
Molecular Weight217.22 g/mol
Exact Mass217.11
IUPAC Nameethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate
SMILESCCOC(=O)CNC(=O)CNC(=O)CN
InChIInChI=1S/C8H15N3O4/c1-2-15-8(14)5-11-7(13)4-10-6(12)3-9/h2-5,9H2,1H3,(H,10,12)(H,11,13)
InChIKeyZAYKMXMHMVCLSJ-UHFFFAOYSA-N
XLogP-2.26
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 5-2.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl 2-[(2-aminoacetyl)amino]acetate
CID 15403805
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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate?
The IUPAC name of ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate (CID 7020070) is ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate.
What is the SMILES notation for ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate?
The canonical SMILES for ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate is CCOC(=O)CNC(=O)CNC(=O)CN.
What is the InChIKey of ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate?
The InChIKey is ZAYKMXMHMVCLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O4/c1-2-15-8(14)5-11-7(13)4-10-6(12)3-9/h2-5,9H2,1H3,(H,10,12)(H,11,13).
What are the key properties of ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate?
ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate has a molecular weight of 217.22 g/mol, XLogP of -2.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-[(2-aminoacetyl)amino]acetyl]amino]acetate is sourced from PubChem (CID 7020070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).