5-amino-2-oxopent-4-enoic acid

C5H7NO3 — CID 71346050

IUPAC5-amino-2-oxopent-4-enoic acid
SMILESNC=CCC(=O)C(=O)O
InChIInChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h1,3H,2,6H2,(H,8,9)
InChIKeyXXIWKCUBXDRZCO-UHFFFAOYSA-N
MW129.11 g/mol
LogP-0.50
Rot. Bonds3

About 5-amino-2-oxopent-4-enoic acid

5-amino-2-oxopent-4-enoic acid (PubChem CID 71346050) has the molecular formula C5H7NO3 and a molecular weight of 129.11 g/mol. Its IUPAC name is 5-amino-2-oxopent-4-enoic acid.

Molecular Properties

Compound Name5-amino-2-oxopent-4-enoic acid
PubChem CID71346050
Molecular FormulaC5H7NO3
Molecular Weight129.11 g/mol
Exact Mass129.04
IUPAC Name5-amino-2-oxopent-4-enoic acid
SMILESNC=CCC(=O)C(=O)O
InChIInChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h1,3H,2,6H2,(H,8,9)
InChIKeyXXIWKCUBXDRZCO-UHFFFAOYSA-N
XLogP-0.50
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.11
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-oxopent-4-enoic acid?
The IUPAC name of 5-amino-2-oxopent-4-enoic acid (CID 71346050) is 5-amino-2-oxopent-4-enoic acid.
What is the SMILES notation for 5-amino-2-oxopent-4-enoic acid?
The canonical SMILES for 5-amino-2-oxopent-4-enoic acid is NC=CCC(=O)C(=O)O.
What is the InChIKey of 5-amino-2-oxopent-4-enoic acid?
The InChIKey is XXIWKCUBXDRZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7NO3/c6-3-1-2-4(7)5(8)9/h1,3H,2,6H2,(H,8,9).
What are the key properties of 5-amino-2-oxopent-4-enoic acid?
5-amino-2-oxopent-4-enoic acid has a molecular weight of 129.11 g/mol, XLogP of -0.50, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-oxopent-4-enoic acid is sourced from PubChem (CID 71346050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).