methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate

C18H17NO3 — CID 11748451

IUPACmethyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO3/c1-12(18(20)21-2)11-22-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12H,11H2,1-2H3/t12-/m1/s1
InChIKeyGJZQCGLHYHDIEH-GFCCVEGCSA-N
MW295.34 g/mol
LogP3.25
Rot. Bonds4

About methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate

methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate (PubChem CID 11748451) has the molecular formula C18H17NO3 and a molecular weight of 295.34 g/mol. Its IUPAC name is methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate.

Molecular Properties

Compound Namemethyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate
PubChem CID11748451
Molecular FormulaC18H17NO3
Molecular Weight295.34 g/mol
Exact Mass295.12
IUPAC Namemethyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate
SMILESCOC(=O)[C@H](C)CON=C1c2ccccc2-c2ccccc21
InChIInChI=1S/C18H17NO3/c1-12(18(20)21-2)11-22-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12H,11H2,1-2H3/t12-/m1/s1
InChIKeyGJZQCGLHYHDIEH-GFCCVEGCSA-N
XLogP3.25
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(fluoren-9-ylideneamino)oxy-N-[(2R)-3-methylbutan-2-yl]acetamide
CID 7697671
methyl (2R)-3-[(E)-benzylideneamino]oxy-2-methylpropanoate
CID 10977007
(2S)-2-[[(2R)-3-(fluoren-9-ylideneamino)oxy-2-hydroxypropyl]azaniumyl]propanoate
CID 2147181
(2R)-1-(fluoren-9-ylideneamino)oxy-3-(3-methylbutylamino)propan-2-ol
CID 2146002
methyl 2-methyl-3-(2-methylphenoxy)propanoate
CID 43537668
methyl 2-methyl-3-phenylpropanoate
CID 11105919
methyl 3-[9-[2-[9-(3-methoxy-2-methyl-3-oxopropyl)fluoren-9-yl]ethyl]fluoren-9-yl]-2-methylpropanoate
CID 90136290
methyl 3-(2-acetamidophenoxy)-2-methylpropanoate
CID 43537861
methyl (2R)-3-(2-methoxyphenyl)sulfanyl-2-methylpropanoate
CID 59809197
(fluoren-9-ylideneamino) 2-chloro-2-oxoacetate
CID 14785661
4-methoxy-3-methyl-4-oxobutanoic acid;phenol
CID 68856622
2-(fluoren-9-ylideneamino)oxy-N-(thiophen-2-ylmethyl)acetamide
CID 7697664

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate?
The IUPAC name of methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate (CID 11748451) is methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate.
What is the SMILES notation for methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate?
The canonical SMILES for methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate is COC(=O)[C@H](C)CON=C1c2ccccc2-c2ccccc21.
What is the InChIKey of methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate?
The InChIKey is GJZQCGLHYHDIEH-GFCCVEGCSA-N. The full InChI is InChI=1S/C18H17NO3/c1-12(18(20)21-2)11-22-19-17-15-9-5-3-7-13(15)14-8-4-6-10-16(14)17/h3-10,12H,11H2,1-2H3/t12-/m1/s1.
What are the key properties of methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate?
methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate has a molecular weight of 295.34 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-(fluoren-9-ylideneamino)oxy-2-methylpropanoate is sourced from PubChem (CID 11748451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).