1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid

C20H25NO4 — CID 87482835

IUPAC1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)NO.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H15NO4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;10-7(9-13)5-3-1-2-4-6-8(11)12/h1-10H;13H,1-6H2,(H,9,10)(H,11,12)
InChIKeyNEWACUIFPVTMAH-UHFFFAOYSA-N
MW343.42 g/mol
LogP4.27
Rot. Bonds8

About 1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid

1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid (PubChem CID 87482835) has the molecular formula C20H25NO4 and a molecular weight of 343.42 g/mol. Its IUPAC name is 1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid.

Molecular Properties

Compound Name1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
PubChem CID87482835
Molecular FormulaC20H25NO4
Molecular Weight343.42 g/mol
Exact Mass343.18
IUPAC Name1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid
SMILESO=C(O)CCCCCCC(=O)NO.c1ccc(-c2ccccc2)cc1
InChIInChI=1S/C12H10.C8H15NO4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;10-7(9-13)5-3-1-2-4-6-8(11)12/h1-10H;13H,1-6H2,(H,9,10)(H,11,12)
InChIKeyNEWACUIFPVTMAH-UHFFFAOYSA-N
XLogP4.27
TPSA86.63 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.42
LogP ≤ 54.27
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
13-(hydroxyamino)-13-oxotridecanoic acid
CID 21490419
26-(hydroxyamino)-26-oxohexacosanoic acid
CID 87686862
1,1'-biphenyl;decanedioic acid;hydrazine
CID 159076350
8-oxo-8-(4-phenylanilino)octanoic acid
CID 23092302
8-(hydroxyamino)-8-oxooctanoic acid;2-phenyl-1,3-thiazole
CID 87483734
N-hydroxy-6-[[2-(4-phenylphenyl)acetyl]amino]hexanamide
CID 42599942
(8E)-N-hydroxy-8-hydroxyimino-8-(4-phenylphenyl)octanamide
CID 10088613
11-anilino-11-oxoundecanoic acid
CID 150341840
44-anilino-44-oxotetratetracontanoic acid
CID 152661091
N-hydroxy-3-(4-phenylphenyl)propanamide
CID 22915508
N-hydroxy-6-phenylhexanamide;thiohydroxylamine
CID 142086803

Frequently Asked Questions

What is the IUPAC name of 1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid?
The IUPAC name of 1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid (CID 87482835) is 1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid.
What is the SMILES notation for 1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid?
The canonical SMILES for 1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid is O=C(O)CCCCCCC(=O)NO.c1ccc(-c2ccccc2)cc1.
What is the InChIKey of 1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid?
The InChIKey is NEWACUIFPVTMAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10.C8H15NO4/c1-3-7-11(8-4-1)12-9-5-2-6-10-12;10-7(9-13)5-3-1-2-4-6-8(11)12/h1-10H;13H,1-6H2,(H,9,10)(H,11,12).
What are the key properties of 1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid?
1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid has a molecular weight of 343.42 g/mol, XLogP of 4.27, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1'-biphenyl;8-(hydroxyamino)-8-oxooctanoic acid is sourced from PubChem (CID 87482835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).