13-(hydroxyamino)-13-oxotridecanoic acid

C13H25NO4 — CID 21490419

IUPAC13-(hydroxyamino)-13-oxotridecanoic acid
SMILESO=C(O)CCCCCCCCCCCC(=O)NO
InChIInChI=1S/C13H25NO4/c15-12(14-18)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h18H,1-11H2,(H,14,15)(H,16,17)
InChIKeyXPKLZGNMMMFGKO-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.87
Rot. Bonds12

About 13-(hydroxyamino)-13-oxotridecanoic acid

13-(hydroxyamino)-13-oxotridecanoic acid (PubChem CID 21490419) has the molecular formula C13H25NO4 and a molecular weight of 259.35 g/mol. Its IUPAC name is 13-(hydroxyamino)-13-oxotridecanoic acid.

Molecular Properties

Compound Name13-(hydroxyamino)-13-oxotridecanoic acid
PubChem CID21490419
Molecular FormulaC13H25NO4
Molecular Weight259.35 g/mol
Exact Mass259.18
IUPAC Name13-(hydroxyamino)-13-oxotridecanoic acid
SMILESO=C(O)CCCCCCCCCCCC(=O)NO
InChIInChI=1S/C13H25NO4/c15-12(14-18)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h18H,1-11H2,(H,14,15)(H,16,17)
InChIKeyXPKLZGNMMMFGKO-UHFFFAOYSA-N
XLogP2.87
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

20-(hydroxyamino)-20-oxoicosanoic acid
CID 87685101
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
CID 87482835
tridecanedioic acid;undecanedioic acid
CID 158333715
decanedioic acid;hexanedioic acid;octanedioic acid
CID 159110511
heptadecanedioic acid
CID 3083765
decanedioic acid;hexanedioic acid;nonanedioic acid;octanedioic acid
CID 159068248
tetradecanedioic acid
CID 13185
decanedioic acid;tris(nonanedioic acid)
CID 159759294
triacontanedioic acid
CID 5322010
dodecanedioic acid;bis(tridecanedioic acid)
CID 87373965
decanedioic acid;icosanedioic acid
CID 161217033

Frequently Asked Questions

What is the IUPAC name of 13-(hydroxyamino)-13-oxotridecanoic acid?
The IUPAC name of 13-(hydroxyamino)-13-oxotridecanoic acid (CID 21490419) is 13-(hydroxyamino)-13-oxotridecanoic acid.
What is the SMILES notation for 13-(hydroxyamino)-13-oxotridecanoic acid?
The canonical SMILES for 13-(hydroxyamino)-13-oxotridecanoic acid is O=C(O)CCCCCCCCCCCC(=O)NO.
What is the InChIKey of 13-(hydroxyamino)-13-oxotridecanoic acid?
The InChIKey is XPKLZGNMMMFGKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO4/c15-12(14-18)10-8-6-4-2-1-3-5-7-9-11-13(16)17/h18H,1-11H2,(H,14,15)(H,16,17).
What are the key properties of 13-(hydroxyamino)-13-oxotridecanoic acid?
13-(hydroxyamino)-13-oxotridecanoic acid has a molecular weight of 259.35 g/mol, XLogP of 2.87, 12 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 13-(hydroxyamino)-13-oxotridecanoic acid is sourced from PubChem (CID 21490419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).