8-oxo-8-(phenylmethoxyamino)octanoic acid

C15H21NO4 — CID 11808064

IUPAC8-oxo-8-(phenylmethoxyamino)octanoic acid
SMILESO=C(O)CCCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C15H21NO4/c17-14(10-6-1-2-7-11-15(18)19)16-20-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)(H,18,19)
InChIKeyRHXABKLEBVKAQJ-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.66
Rot. Bonds10

About 8-oxo-8-(phenylmethoxyamino)octanoic acid

8-oxo-8-(phenylmethoxyamino)octanoic acid (PubChem CID 11808064) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is 8-oxo-8-(phenylmethoxyamino)octanoic acid.

Molecular Properties

Compound Name8-oxo-8-(phenylmethoxyamino)octanoic acid
PubChem CID11808064
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Name8-oxo-8-(phenylmethoxyamino)octanoic acid
SMILESO=C(O)CCCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C15H21NO4/c17-14(10-6-1-2-7-11-15(18)19)16-20-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)(H,18,19)
InChIKeyRHXABKLEBVKAQJ-UHFFFAOYSA-N
XLogP2.66
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Hydroxy-3-(1-hydroxy-1,3-dihydrobenzo[c][1,2]oxaborol-7-yl)propanamide
CID 57395070
3-(2-fluorophenyl)-N,3-dihydroxypropanamide
CID 72707600
3-(3-fluorophenyl)-N,3-dihydroxypropanamide
CID 72707603
3-(4-fluorophenyl)-N,3-dihydroxypropanamide
CID 72707668
Mandelohydroxamic acid
CID 150991
(E)-4-(benzyloxyamino)-4-oxo-but-2-enoic acid
CID 6474831
N-(benzyloxy)cyclohexanecarboxamide
CID 3686111
N,3-dihydroxy-3-phenylpropanamide
CID 71721720
3-Hydroxy-3-phenylpropionamide
CID 231309
Butanoic acid, 4-benzyloxyamino-4-oxo-
CID 16112567
Pentanoic acid, 5-benzyloxyamino-5-oxo-
CID 46224089
l-Mandelohydroxamic acid
CID 5324630

Frequently Asked Questions

What is the IUPAC name of 8-oxo-8-(phenylmethoxyamino)octanoic acid?
The IUPAC name of 8-oxo-8-(phenylmethoxyamino)octanoic acid (CID 11808064) is 8-oxo-8-(phenylmethoxyamino)octanoic acid.
What is the SMILES notation for 8-oxo-8-(phenylmethoxyamino)octanoic acid?
The canonical SMILES for 8-oxo-8-(phenylmethoxyamino)octanoic acid is O=C(O)CCCCCCC(=O)NOCc1ccccc1.
What is the InChIKey of 8-oxo-8-(phenylmethoxyamino)octanoic acid?
The InChIKey is RHXABKLEBVKAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c17-14(10-6-1-2-7-11-15(18)19)16-20-12-13-8-4-3-5-9-13/h3-5,8-9H,1-2,6-7,10-12H2,(H,16,17)(H,18,19).
What are the key properties of 8-oxo-8-(phenylmethoxyamino)octanoic acid?
8-oxo-8-(phenylmethoxyamino)octanoic acid has a molecular weight of 279.34 g/mol, XLogP of 2.66, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-oxo-8-(phenylmethoxyamino)octanoic acid is sourced from PubChem (CID 11808064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).