3-[formyl(hydroxy)amino]propanoic acid

C4H7NO4 — CID 53319111

IUPAC3-[formyl(hydroxy)amino]propanoic acid
SMILESO=CN(O)CCC(=O)O
InChIInChI=1S/C4H7NO4/c6-3-5(9)2-1-4(7)8/h3,9H,1-2H2,(H,7,8)
InChIKeyFKDJJDLQRUXMTK-UHFFFAOYSA-N
MW133.10 g/mol
LogP-0.69
Rot. Bonds4

About 3-[formyl(hydroxy)amino]propanoic acid

3-[formyl(hydroxy)amino]propanoic acid (PubChem CID 53319111) has the molecular formula C4H7NO4 and a molecular weight of 133.10 g/mol. Its IUPAC name is 3-[formyl(hydroxy)amino]propanoic acid.

Molecular Properties

Compound Name3-[formyl(hydroxy)amino]propanoic acid
PubChem CID53319111
Molecular FormulaC4H7NO4
Molecular Weight133.10 g/mol
Exact Mass133.04
IUPAC Name3-[formyl(hydroxy)amino]propanoic acid
SMILESO=CN(O)CCC(=O)O
InChIInChI=1S/C4H7NO4/c6-3-5(9)2-1-4(7)8/h3,9H,1-2H2,(H,7,8)
InChIKeyFKDJJDLQRUXMTK-UHFFFAOYSA-N
XLogP-0.69
TPSA77.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.10
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', '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 3-[formyl(hydroxy)amino]propanoic acid?
The IUPAC name of 3-[formyl(hydroxy)amino]propanoic acid (CID 53319111) is 3-[formyl(hydroxy)amino]propanoic acid.
What is the SMILES notation for 3-[formyl(hydroxy)amino]propanoic acid?
The canonical SMILES for 3-[formyl(hydroxy)amino]propanoic acid is O=CN(O)CCC(=O)O.
What is the InChIKey of 3-[formyl(hydroxy)amino]propanoic acid?
The InChIKey is FKDJJDLQRUXMTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO4/c6-3-5(9)2-1-4(7)8/h3,9H,1-2H2,(H,7,8).
What are the key properties of 3-[formyl(hydroxy)amino]propanoic acid?
3-[formyl(hydroxy)amino]propanoic acid has a molecular weight of 133.10 g/mol, XLogP of -0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[formyl(hydroxy)amino]propanoic acid is sourced from PubChem (CID 53319111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).