5-(hydroxyamino)-5-oxopentanoic acid

C5H9NO4 — CID 12616795

IUPAC5-(hydroxyamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NO
InChIInChI=1S/C5H9NO4/c7-4(6-10)2-1-3-5(8)9/h10H,1-3H2,(H,6,7)(H,8,9)
InChIKeyWNMOIVFBJXRXSY-UHFFFAOYSA-N
MW147.13 g/mol
LogP-0.25
Rot. Bonds4

About 5-(hydroxyamino)-5-oxopentanoic acid

5-(hydroxyamino)-5-oxopentanoic acid (PubChem CID 12616795) has the molecular formula C5H9NO4 and a molecular weight of 147.13 g/mol. Its IUPAC name is 5-(hydroxyamino)-5-oxopentanoic acid.

Molecular Properties

Compound Name5-(hydroxyamino)-5-oxopentanoic acid
PubChem CID12616795
Molecular FormulaC5H9NO4
Molecular Weight147.13 g/mol
Exact Mass147.05
IUPAC Name5-(hydroxyamino)-5-oxopentanoic acid
SMILESO=C(O)CCCC(=O)NO
InChIInChI=1S/C5H9NO4/c7-4(6-10)2-1-3-5(8)9/h10H,1-3H2,(H,6,7)(H,8,9)
InChIKeyWNMOIVFBJXRXSY-UHFFFAOYSA-N
XLogP-0.25
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.13
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 5-(hydroxyamino)-5-oxopentanoic acid?
The IUPAC name of 5-(hydroxyamino)-5-oxopentanoic acid (CID 12616795) is 5-(hydroxyamino)-5-oxopentanoic acid.
What is the SMILES notation for 5-(hydroxyamino)-5-oxopentanoic acid?
The canonical SMILES for 5-(hydroxyamino)-5-oxopentanoic acid is O=C(O)CCCC(=O)NO.
What is the InChIKey of 5-(hydroxyamino)-5-oxopentanoic acid?
The InChIKey is WNMOIVFBJXRXSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4/c7-4(6-10)2-1-3-5(8)9/h10H,1-3H2,(H,6,7)(H,8,9).
What are the key properties of 5-(hydroxyamino)-5-oxopentanoic acid?
5-(hydroxyamino)-5-oxopentanoic acid has a molecular weight of 147.13 g/mol, XLogP of -0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(hydroxyamino)-5-oxopentanoic acid is sourced from PubChem (CID 12616795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).