4-[ethenoxy(formyl)amino]butanoic acid

C7H11NO4 — CID 57210414

IUPAC4-[ethenoxy(formyl)amino]butanoic acid
SMILESC=CON(C=O)CCCC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-12-8(6-9)5-3-4-7(10)11/h2,6H,1,3-5H2,(H,10,11)
InChIKeyJQWUJENJMRJRTJ-UHFFFAOYSA-N
MW173.17 g/mol
LogP0.38
Rot. Bonds7

About 4-[ethenoxy(formyl)amino]butanoic acid

4-[ethenoxy(formyl)amino]butanoic acid (PubChem CID 57210414) has the molecular formula C7H11NO4 and a molecular weight of 173.17 g/mol. Its IUPAC name is 4-[ethenoxy(formyl)amino]butanoic acid.

Molecular Properties

Compound Name4-[ethenoxy(formyl)amino]butanoic acid
PubChem CID57210414
Molecular FormulaC7H11NO4
Molecular Weight173.17 g/mol
Exact Mass173.07
IUPAC Name4-[ethenoxy(formyl)amino]butanoic acid
SMILESC=CON(C=O)CCCC(=O)O
InChIInChI=1S/C7H11NO4/c1-2-12-8(6-9)5-3-4-7(10)11/h2,6H,1,3-5H2,(H,10,11)
InChIKeyJQWUJENJMRJRTJ-UHFFFAOYSA-N
XLogP0.38
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', '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 4-[ethenoxy(formyl)amino]butanoic acid?
The IUPAC name of 4-[ethenoxy(formyl)amino]butanoic acid (CID 57210414) is 4-[ethenoxy(formyl)amino]butanoic acid.
What is the SMILES notation for 4-[ethenoxy(formyl)amino]butanoic acid?
The canonical SMILES for 4-[ethenoxy(formyl)amino]butanoic acid is C=CON(C=O)CCCC(=O)O.
What is the InChIKey of 4-[ethenoxy(formyl)amino]butanoic acid?
The InChIKey is JQWUJENJMRJRTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO4/c1-2-12-8(6-9)5-3-4-7(10)11/h2,6H,1,3-5H2,(H,10,11).
What are the key properties of 4-[ethenoxy(formyl)amino]butanoic acid?
4-[ethenoxy(formyl)amino]butanoic acid has a molecular weight of 173.17 g/mol, XLogP of 0.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[ethenoxy(formyl)amino]butanoic acid is sourced from PubChem (CID 57210414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).