2-(2-aminooxyethenylamino)acetic acid

C4H8N2O3 — CID 86131534

IUPAC2-(2-aminooxyethenylamino)acetic acid
SMILESNOC=CNCC(=O)O
InChIInChI=1S/C4H8N2O3/c5-9-2-1-6-3-4(7)8/h1-2,6H,3,5H2,(H,7,8)
InChIKeyUMKFOUYOLDGNJW-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.98
Rot. Bonds4

About 2-(2-aminooxyethenylamino)acetic acid

2-(2-aminooxyethenylamino)acetic acid (PubChem CID 86131534) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 2-(2-aminooxyethenylamino)acetic acid.

Molecular Properties

Compound Name2-(2-aminooxyethenylamino)acetic acid
PubChem CID86131534
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name2-(2-aminooxyethenylamino)acetic acid
SMILESNOC=CNCC(=O)O
InChIInChI=1S/C4H8N2O3/c5-9-2-1-6-3-4(7)8/h1-2,6H,3,5H2,(H,7,8)
InChIKeyUMKFOUYOLDGNJW-UHFFFAOYSA-N
XLogP-0.98
TPSA84.58 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminooxyethenylamino)acetic acid?
The IUPAC name of 2-(2-aminooxyethenylamino)acetic acid (CID 86131534) is 2-(2-aminooxyethenylamino)acetic acid.
What is the SMILES notation for 2-(2-aminooxyethenylamino)acetic acid?
The canonical SMILES for 2-(2-aminooxyethenylamino)acetic acid is NOC=CNCC(=O)O.
What is the InChIKey of 2-(2-aminooxyethenylamino)acetic acid?
The InChIKey is UMKFOUYOLDGNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c5-9-2-1-6-3-4(7)8/h1-2,6H,3,5H2,(H,7,8).
What are the key properties of 2-(2-aminooxyethenylamino)acetic acid?
2-(2-aminooxyethenylamino)acetic acid has a molecular weight of 132.12 g/mol, XLogP of -0.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminooxyethenylamino)acetic acid is sourced from PubChem (CID 86131534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).