phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate

C15H21NO4 — CID 143527761

IUPACphenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate
SMILESCC(C)(CC(C)(C)C(=O)Oc1ccccc1)C(=O)NO
InChIInChI=1S/C15H21NO4/c1-14(2,12(17)16-19)10-15(3,4)13(18)20-11-8-6-5-7-9-11/h5-9,19H,10H2,1-4H3,(H,16,17)
InChIKeyUXNPXXICVRKWBF-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.54
Rot. Bonds5

About phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate

phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate (PubChem CID 143527761) has the molecular formula C15H21NO4 and a molecular weight of 279.34 g/mol. Its IUPAC name is phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate.

Molecular Properties

Compound Namephenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate
PubChem CID143527761
Molecular FormulaC15H21NO4
Molecular Weight279.34 g/mol
Exact Mass279.15
IUPAC Namephenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate
SMILESCC(C)(CC(C)(C)C(=O)Oc1ccccc1)C(=O)NO
InChIInChI=1S/C15H21NO4/c1-14(2,12(17)16-19)10-15(3,4)13(18)20-11-8-6-5-7-9-11/h5-9,19H,10H2,1-4H3,(H,16,17)
InChIKeyUXNPXXICVRKWBF-UHFFFAOYSA-N
XLogP2.54
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

phenyl 4-(dimethylamino)-2,2-dimethylbutanoate
CID 174861843
phenyl 2-amino-2-methylpropanoate
CID 22002021
phenyl 5-[(4,4-dimethyl-5-oxo-5-phenoxypentyl)carbamothioylamino]-2,2-dimethylpentanoate
CID 11271673
carbonochloridic acid;phenyl 2,2-dimethylpropanoate
CID 174754992
4-[3-(3,3-dimethyl-4-oxo-4-phenoxybutyl)sulfanylpropylsulfanyl]-2,2-dimethylbutanoic acid
CID 141186655
N-hydroxy-2,2,4,4-tetramethyl-5-oxohexanamide
CID 89136777
phenyl (2R)-2-amino-2-phenylpropanoate
CID 142678159
diphenyl 2-methyl-2-methylsulfonylpropanedioate
CID 44634248
1-O-methyl 5-O-[4-[3-(4-phenylphenyl)prop-2-enoyloxy]phenyl] 2-ethyl-2,4,4-trimethylpentanedioate
CID 76628888
phenyl propanoate
CID 161258381
(4-benzoylphenyl) 2,2-dimethylpentanoate
CID 70377336
phenyl 3-hydroxy-2-(hydroxymethyl)-2-methylbutanoate
CID 174943940

Frequently Asked Questions

What is the IUPAC name of phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate?
The IUPAC name of phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate (CID 143527761) is phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate.
What is the SMILES notation for phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate?
The canonical SMILES for phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate is CC(C)(CC(C)(C)C(=O)Oc1ccccc1)C(=O)NO.
What is the InChIKey of phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate?
The InChIKey is UXNPXXICVRKWBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO4/c1-14(2,12(17)16-19)10-15(3,4)13(18)20-11-8-6-5-7-9-11/h5-9,19H,10H2,1-4H3,(H,16,17).
What are the key properties of phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate?
phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate has a molecular weight of 279.34 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 5-(hydroxyamino)-2,2,4,4-tetramethyl-5-oxopentanoate is sourced from PubChem (CID 143527761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).