(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate

C14H19NO5 — CID 143527744

IUPAC(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate
SMILESO=C(CCCCCCC(=O)Oc1ccccc1O)NO
InChIInChI=1S/C14H19NO5/c16-11-7-5-6-8-12(11)20-14(18)10-4-2-1-3-9-13(17)15-19/h5-8,16,19H,1-4,9-10H2,(H,15,17)
InChIKeyVFMPZCAWYORXCV-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.14
Rot. Bonds8

About (2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate

(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate (PubChem CID 143527744) has the molecular formula C14H19NO5 and a molecular weight of 281.31 g/mol. Its IUPAC name is (2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate.

Molecular Properties

Compound Name(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate
PubChem CID143527744
Molecular FormulaC14H19NO5
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate
SMILESO=C(CCCCCCC(=O)Oc1ccccc1O)NO
InChIInChI=1S/C14H19NO5/c16-11-7-5-6-8-12(11)20-14(18)10-4-2-1-3-9-13(17)15-19/h5-8,16,19H,1-4,9-10H2,(H,15,17)
InChIKeyVFMPZCAWYORXCV-UHFFFAOYSA-N
XLogP2.14
TPSA95.86 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate?
The IUPAC name of (2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate (CID 143527744) is (2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate.
What is the SMILES notation for (2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate?
The canonical SMILES for (2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate is O=C(CCCCCCC(=O)Oc1ccccc1O)NO.
What is the InChIKey of (2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate?
The InChIKey is VFMPZCAWYORXCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO5/c16-11-7-5-6-8-12(11)20-14(18)10-4-2-1-3-9-13(17)15-19/h5-8,16,19H,1-4,9-10H2,(H,15,17).
What are the key properties of (2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate?
(2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate has a molecular weight of 281.31 g/mol, XLogP of 2.14, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxyphenyl) 8-(hydroxyamino)-8-oxooctanoate is sourced from PubChem (CID 143527744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).