20-(hydroxyamino)-20-oxoicosanoic acid

C20H39NO4 — CID 87685101

IUPAC20-(hydroxyamino)-20-oxoicosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCC(=O)NO
InChIInChI=1S/C20H39NO4/c22-19(21-25)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h25H,1-18H2,(H,21,22)(H,23,24)
InChIKeyWCSFWWFYWRMDLS-UHFFFAOYSA-N
MW357.54 g/mol
LogP5.60
Rot. Bonds19

About 20-(hydroxyamino)-20-oxoicosanoic acid

20-(hydroxyamino)-20-oxoicosanoic acid (PubChem CID 87685101) has the molecular formula C20H39NO4 and a molecular weight of 357.54 g/mol. Its IUPAC name is 20-(hydroxyamino)-20-oxoicosanoic acid.

Molecular Properties

Compound Name20-(hydroxyamino)-20-oxoicosanoic acid
PubChem CID87685101
Molecular FormulaC20H39NO4
Molecular Weight357.54 g/mol
Exact Mass357.29
IUPAC Name20-(hydroxyamino)-20-oxoicosanoic acid
SMILESO=C(O)CCCCCCCCCCCCCCCCCCC(=O)NO
InChIInChI=1S/C20H39NO4/c22-19(21-25)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h25H,1-18H2,(H,21,22)(H,23,24)
InChIKeyWCSFWWFYWRMDLS-UHFFFAOYSA-N
XLogP5.60
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.54
LogP ≤ 55.60
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

13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
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 20-(hydroxyamino)-20-oxoicosanoic acid?
The IUPAC name of 20-(hydroxyamino)-20-oxoicosanoic acid (CID 87685101) is 20-(hydroxyamino)-20-oxoicosanoic acid.
What is the SMILES notation for 20-(hydroxyamino)-20-oxoicosanoic acid?
The canonical SMILES for 20-(hydroxyamino)-20-oxoicosanoic acid is O=C(O)CCCCCCCCCCCCCCCCCCC(=O)NO.
What is the InChIKey of 20-(hydroxyamino)-20-oxoicosanoic acid?
The InChIKey is WCSFWWFYWRMDLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39NO4/c22-19(21-25)17-15-13-11-9-7-5-3-1-2-4-6-8-10-12-14-16-18-20(23)24/h25H,1-18H2,(H,21,22)(H,23,24).
What are the key properties of 20-(hydroxyamino)-20-oxoicosanoic acid?
20-(hydroxyamino)-20-oxoicosanoic acid has a molecular weight of 357.54 g/mol, XLogP of 5.60, 19 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 20-(hydroxyamino)-20-oxoicosanoic acid is sourced from PubChem (CID 87685101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).