2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid

C6H12N2O3 — CID 87997032

IUPAC2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid
SMILESCC(N)O/C=C/NCC(=O)O
InChIInChI=1S/C6H12N2O3/c1-5(7)11-3-2-8-4-6(9)10/h2-3,5,8H,4,7H2,1H3,(H,9,10)/b3-2+
InChIKeyRZPRIVNNURSPHG-NSCUHMNNSA-N
MW160.17 g/mol
LogP-0.55
Rot. Bonds5

About 2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid

2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid (PubChem CID 87997032) has the molecular formula C6H12N2O3 and a molecular weight of 160.17 g/mol. Its IUPAC name is 2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid
PubChem CID87997032
Molecular FormulaC6H12N2O3
Molecular Weight160.17 g/mol
Exact Mass160.08
IUPAC Name2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid
SMILESCC(N)O/C=C/NCC(=O)O
InChIInChI=1S/C6H12N2O3/c1-5(7)11-3-2-8-4-6(9)10/h2-3,5,8H,4,7H2,1H3,(H,9,10)/b3-2+
InChIKeyRZPRIVNNURSPHG-NSCUHMNNSA-N
XLogP-0.55
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methoxyvinylglycine
CID 67565635
Aminoethoxyvinylglycine hydrochloride
CID 118797410
2-[1-Aminoethoxy(ethenyl)amino]acetic acid
CID 19380900
2-[2-(2-Aminoethoxy)ethenylamino]acetic acid
CID 53439366
Aminooxyvinylglycine
CID 86131534
1-Aminoethoxyvinylglycine
CID 129662537
Ethoxyvinylglycine
CID 129690887
2-Amino-ethoxyvinyl-glycine
CID 129691308
2-Aminoethoxyvinyle glycine
CID 9920455
2-(1-Methoxyethenylamino)acetic acid
CID 67565633
2-[1-(1-Aminoethoxy)ethenylamino]acetic acid
CID 87073627
2-[1-(2-Aminoethoxy)ethenylamino]acetic acid
CID 87169324

Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid?
The IUPAC name of 2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid (CID 87997032) is 2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid is CC(N)O/C=C/NCC(=O)O.
What is the InChIKey of 2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid?
The InChIKey is RZPRIVNNURSPHG-NSCUHMNNSA-N. The full InChI is InChI=1S/C6H12N2O3/c1-5(7)11-3-2-8-4-6(9)10/h2-3,5,8H,4,7H2,1H3,(H,9,10)/b3-2+.
What are the key properties of 2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid?
2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid has a molecular weight of 160.17 g/mol, XLogP of -0.55, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-(1-aminoethoxy)ethenyl]amino]acetic acid is sourced from PubChem (CID 87997032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).