7-oxo-7-(phenylmethoxyamino)heptanoic acid

C14H19NO4 — CID 57439168

IUPAC7-oxo-7-(phenylmethoxyamino)heptanoic acid
SMILESO=C(O)CCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C14H19NO4/c16-13(9-5-2-6-10-14(17)18)15-19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,16)(H,17,18)
InChIKeyYKARYQAMZRADMW-UHFFFAOYSA-N
MW265.31 g/mol
LogP2.27
Rot. Bonds9

About 7-oxo-7-(phenylmethoxyamino)heptanoic acid

7-oxo-7-(phenylmethoxyamino)heptanoic acid (PubChem CID 57439168) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is 7-oxo-7-(phenylmethoxyamino)heptanoic acid.

Molecular Properties

Compound Name7-oxo-7-(phenylmethoxyamino)heptanoic acid
PubChem CID57439168
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name7-oxo-7-(phenylmethoxyamino)heptanoic acid
SMILESO=C(O)CCCCCC(=O)NOCc1ccccc1
InChIInChI=1S/C14H19NO4/c16-13(9-5-2-6-10-14(17)18)15-19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,16)(H,17,18)
InChIKeyYKARYQAMZRADMW-UHFFFAOYSA-N
XLogP2.27
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.27
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

7-amino-N-phenylmethoxyheptanamide
CID 59535540
[6-oxo-6-(phenylmethoxyamino)hexyl]azanium
CID 59535547
[7-oxo-7-(phenylmethoxyamino)heptyl]azanium
CID 59535539
N-phenylmethoxyhexanamide
CID 60717350
8-amino-N-phenylmethoxyoctanamide;ethane;ethene
CID 143768165
chloro-[5-oxo-5-(phenylmethoxyamino)pentyl]azanide
CID 59535535
8-amino-N-phenylmethoxydecanamide;hydrochloride
CID 174601541
chloro-[4-oxo-4-(phenylmethoxyamino)butyl]azanide
CID 59535491
N-(4-formylphenyl)-N'-phenylmethoxyoctanediamide
CID 23900156
tert-butyl N-[7-oxo-7-(phenylmethoxyamino)heptyl]carbamate
CID 59535553
(2S)-2-amino-N-phenyl-N'-phenylmethoxyoctanediamide
CID 72946637
26-oxo-26-phenylmethoxyhexacosanoic acid
CID 155487553

Frequently Asked Questions

What is the IUPAC name of 7-oxo-7-(phenylmethoxyamino)heptanoic acid?
The IUPAC name of 7-oxo-7-(phenylmethoxyamino)heptanoic acid (CID 57439168) is 7-oxo-7-(phenylmethoxyamino)heptanoic acid.
What is the SMILES notation for 7-oxo-7-(phenylmethoxyamino)heptanoic acid?
The canonical SMILES for 7-oxo-7-(phenylmethoxyamino)heptanoic acid is O=C(O)CCCCCC(=O)NOCc1ccccc1.
What is the InChIKey of 7-oxo-7-(phenylmethoxyamino)heptanoic acid?
The InChIKey is YKARYQAMZRADMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO4/c16-13(9-5-2-6-10-14(17)18)15-19-11-12-7-3-1-4-8-12/h1,3-4,7-8H,2,5-6,9-11H2,(H,15,16)(H,17,18).
What are the key properties of 7-oxo-7-(phenylmethoxyamino)heptanoic acid?
7-oxo-7-(phenylmethoxyamino)heptanoic acid has a molecular weight of 265.31 g/mol, XLogP of 2.27, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-7-(phenylmethoxyamino)heptanoic acid is sourced from PubChem (CID 57439168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).