2-[[(E)-2-methoxyethenyl]amino]acetic acid

C5H9NO3 — CID 87073371

IUPAC2-[[(E)-2-methoxyethenyl]amino]acetic acid
SMILESCO/C=C/NCC(=O)O
InChIInChI=1S/C5H9NO3/c1-9-3-2-6-4-5(7)8/h2-3,6H,4H2,1H3,(H,7,8)/b3-2+
InChIKeyUJVZXCWQMZWYKI-NSCUHMNNSA-N
MW131.13 g/mol
LogP-0.22
Rot. Bonds4

About 2-[[(E)-2-methoxyethenyl]amino]acetic acid

2-[[(E)-2-methoxyethenyl]amino]acetic acid (PubChem CID 87073371) has the molecular formula C5H9NO3 and a molecular weight of 131.13 g/mol. Its IUPAC name is 2-[[(E)-2-methoxyethenyl]amino]acetic acid.

Molecular Properties

Compound Name2-[[(E)-2-methoxyethenyl]amino]acetic acid
PubChem CID87073371
Molecular FormulaC5H9NO3
Molecular Weight131.13 g/mol
Exact Mass131.06
IUPAC Name2-[[(E)-2-methoxyethenyl]amino]acetic acid
SMILESCO/C=C/NCC(=O)O
InChIInChI=1S/C5H9NO3/c1-9-3-2-6-4-5(7)8/h2-3,6H,4H2,1H3,(H,7,8)/b3-2+
InChIKeyUJVZXCWQMZWYKI-NSCUHMNNSA-N
XLogP-0.22
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.13
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[(E)-2-methoxyethenyl]amino]acetic acid?
The IUPAC name of 2-[[(E)-2-methoxyethenyl]amino]acetic acid (CID 87073371) is 2-[[(E)-2-methoxyethenyl]amino]acetic acid.
What is the SMILES notation for 2-[[(E)-2-methoxyethenyl]amino]acetic acid?
The canonical SMILES for 2-[[(E)-2-methoxyethenyl]amino]acetic acid is CO/C=C/NCC(=O)O.
What is the InChIKey of 2-[[(E)-2-methoxyethenyl]amino]acetic acid?
The InChIKey is UJVZXCWQMZWYKI-NSCUHMNNSA-N. The full InChI is InChI=1S/C5H9NO3/c1-9-3-2-6-4-5(7)8/h2-3,6H,4H2,1H3,(H,7,8)/b3-2+.
What are the key properties of 2-[[(E)-2-methoxyethenyl]amino]acetic acid?
2-[[(E)-2-methoxyethenyl]amino]acetic acid has a molecular weight of 131.13 g/mol, XLogP of -0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(E)-2-methoxyethenyl]amino]acetic acid is sourced from PubChem (CID 87073371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).