5-(hydroxyamino)-5-oxopentanoic acid;pentane

C10H21NO4 — CID 158214460

IUPAC5-(hydroxyamino)-5-oxopentanoic acid;pentane
SMILESCCCCC.O=C(O)CCCC(=O)NO
InChIInChI=1S/C5H9NO4.C5H12/c7-4(6-10)2-1-3-5(8)9;1-3-5-4-2/h10H,1-3H2,(H,6,7)(H,8,9);3-5H2,1-2H3
InChIKeyGCLYYGVVOTYGMT-UHFFFAOYSA-N
MW219.28 g/mol
LogP1.94
Rot. Bonds6

About 5-(hydroxyamino)-5-oxopentanoic acid;pentane

5-(hydroxyamino)-5-oxopentanoic acid;pentane (PubChem CID 158214460) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 5-(hydroxyamino)-5-oxopentanoic acid;pentane.

Molecular Properties

Compound Name5-(hydroxyamino)-5-oxopentanoic acid;pentane
PubChem CID158214460
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name5-(hydroxyamino)-5-oxopentanoic acid;pentane
SMILESCCCCC.O=C(O)CCCC(=O)NO
InChIInChI=1S/C5H9NO4.C5H12/c7-4(6-10)2-1-3-5(8)9;1-3-5-4-2/h10H,1-3H2,(H,6,7)(H,8,9);3-5H2,1-2H3
InChIKeyGCLYYGVVOTYGMT-UHFFFAOYSA-N
XLogP1.94
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 51.94
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;pentane?
The IUPAC name of 5-(hydroxyamino)-5-oxopentanoic acid;pentane (CID 158214460) is 5-(hydroxyamino)-5-oxopentanoic acid;pentane.
What is the SMILES notation for 5-(hydroxyamino)-5-oxopentanoic acid;pentane?
The canonical SMILES for 5-(hydroxyamino)-5-oxopentanoic acid;pentane is CCCCC.O=C(O)CCCC(=O)NO.
What is the InChIKey of 5-(hydroxyamino)-5-oxopentanoic acid;pentane?
The InChIKey is GCLYYGVVOTYGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9NO4.C5H12/c7-4(6-10)2-1-3-5(8)9;1-3-5-4-2/h10H,1-3H2,(H,6,7)(H,8,9);3-5H2,1-2H3.
What are the key properties of 5-(hydroxyamino)-5-oxopentanoic acid;pentane?
5-(hydroxyamino)-5-oxopentanoic acid;pentane has a molecular weight of 219.28 g/mol, XLogP of 1.94, 6 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;pentane is sourced from PubChem (CID 158214460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).