2-(2-aminoethoxy)ethenyl 2-aminoacetate

C6H12N2O3 — CID 57136578

IUPAC2-(2-aminoethoxy)ethenyl 2-aminoacetate
SMILESNCCOC=COC(=O)CN
InChIInChI=1S/C6H12N2O3/c7-1-2-10-3-4-11-6(9)5-8/h3-4H,1-2,5,7-8H2
InChIKeyZBBQPGCFQPATHD-UHFFFAOYSA-N
MW160.17 g/mol
LogP-1.07
Rot. Bonds5

About 2-(2-aminoethoxy)ethenyl 2-aminoacetate

2-(2-aminoethoxy)ethenyl 2-aminoacetate (PubChem CID 57136578) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-(2-aminoethoxy)ethenyl 2-aminoacetate.

Molecular Properties

Compound Name2-(2-aminoethoxy)ethenyl 2-aminoacetate
PubChem CID57136578
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-(2-aminoethoxy)ethenyl 2-aminoacetate
SMILESNCCOC=COC(=O)CN
InChIInChI=1S/C6H12N2O3/c7-1-2-10-3-4-11-6(9)5-8/h3-4H,1-2,5,7-8H2
InChIKeyZBBQPGCFQPATHD-UHFFFAOYSA-N
XLogP-1.07
TPSA87.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-aminoacetic acid;2-ethenoxyethanamine
CID 174772659
ethenol;ethenyl 2-aminoacetate
CID 19851300
CID 172995547
CID 172995547
bis(2-aminoethyl) butanedioate
CID 12073124
2-(2-ethylsulfonylethenoxy)ethanamine
CID 57122229
(2-aminoacetyl)oxycarbonyl 2-aminoacetate
CID 57200330
amino 2-aminoacetate;zinc
CID 87197519
bis(2-aminoacetyl) oxalate
CID 88769554
CID 18415084
CID 18415084
2-aminoethaneperoxoic acid;hydrofluoride
CID 88599303
2-[2-(carboxymethoxy)ethenoxy]acetic acid
CID 91328035
ethyl 3-(2-aminoethoxy)-2-methylprop-2-enoate
CID 173442797

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethoxy)ethenyl 2-aminoacetate?
The IUPAC name of 2-(2-aminoethoxy)ethenyl 2-aminoacetate (CID 57136578) is 2-(2-aminoethoxy)ethenyl 2-aminoacetate.
What is the SMILES notation for 2-(2-aminoethoxy)ethenyl 2-aminoacetate?
The canonical SMILES for 2-(2-aminoethoxy)ethenyl 2-aminoacetate is NCCOC=COC(=O)CN.
What is the InChIKey of 2-(2-aminoethoxy)ethenyl 2-aminoacetate?
The InChIKey is ZBBQPGCFQPATHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O3/c7-1-2-10-3-4-11-6(9)5-8/h3-4H,1-2,5,7-8H2.
What are the key properties of 2-(2-aminoethoxy)ethenyl 2-aminoacetate?
2-(2-aminoethoxy)ethenyl 2-aminoacetate has a molecular weight of 160.17 g/mol, XLogP of -1.07, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethoxy)ethenyl 2-aminoacetate is sourced from PubChem (CID 57136578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).