methyl 2-aminooxy-3-(4-methylphenyl)propanoate

C11H15NO3 — CID 163416905

IUPACmethyl 2-aminooxy-3-(4-methylphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(C)cc1)ON
InChIInChI=1S/C11H15NO3/c1-8-3-5-9(6-4-8)7-10(15-12)11(13)14-2/h3-6,10H,7,12H2,1-2H3
InChIKeyAFETWZHUEVBAEJ-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.97
Rot. Bonds4

About methyl 2-aminooxy-3-(4-methylphenyl)propanoate

methyl 2-aminooxy-3-(4-methylphenyl)propanoate (PubChem CID 163416905) has the molecular formula C11H15NO3 and a molecular weight of 209.24 g/mol. Its IUPAC name is methyl 2-aminooxy-3-(4-methylphenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-aminooxy-3-(4-methylphenyl)propanoate
PubChem CID163416905
Molecular FormulaC11H15NO3
Molecular Weight209.24 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-aminooxy-3-(4-methylphenyl)propanoate
SMILESCOC(=O)C(Cc1ccc(C)cc1)ON
InChIInChI=1S/C11H15NO3/c1-8-3-5-9(6-4-8)7-10(15-12)11(13)14-2/h3-6,10H,7,12H2,1-2H3
InChIKeyAFETWZHUEVBAEJ-UHFFFAOYSA-N
XLogP0.97
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;methyl 2-methyl-3-(4-methylphenyl)propanoate
CID 143972030
methyl (2R)-2-amino-3-(4-methylphenyl)propanoate;hydrochloride
CID 54763157
methyl 2-(aminomethyl)-3-(4-methylphenyl)propanoate
CID 43148192
methyl 2-amino-3-[4-(4-methylphenyl)phenyl]propanoate
CID 57296251
methyl (2S)-2-amino-3-[4-[(E)-2-(4-methylphenyl)ethenyl]phenyl]propanoate
CID 170568291
methyl 2-[(4-methylphenyl)methylamino]propanoate
CID 19362169
methyl 2-(ethoxycarbonylamino)-3-(4-methylphenyl)propanoate
CID 134397352
methyl 2-methyl-3-[(4-methylphenyl)methylamino]butanoate
CID 79391621
methyl 3-(4-aminophenyl)-2-propan-2-yloxypropanoate
CID 141068756
methyl 4-amino-5-(4-methylphenyl)pentanoate
CID 62960950
3-aminooxy-4-phenylbutan-2-one
CID 177137013
propyl 2-ethoxy-3-(4-methylphenyl)propanoate
CID 142845050

Frequently Asked Questions

What is the IUPAC name of methyl 2-aminooxy-3-(4-methylphenyl)propanoate?
The IUPAC name of methyl 2-aminooxy-3-(4-methylphenyl)propanoate (CID 163416905) is methyl 2-aminooxy-3-(4-methylphenyl)propanoate.
What is the SMILES notation for methyl 2-aminooxy-3-(4-methylphenyl)propanoate?
The canonical SMILES for methyl 2-aminooxy-3-(4-methylphenyl)propanoate is COC(=O)C(Cc1ccc(C)cc1)ON.
What is the InChIKey of methyl 2-aminooxy-3-(4-methylphenyl)propanoate?
The InChIKey is AFETWZHUEVBAEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-3-5-9(6-4-8)7-10(15-12)11(13)14-2/h3-6,10H,7,12H2,1-2H3.
What are the key properties of methyl 2-aminooxy-3-(4-methylphenyl)propanoate?
methyl 2-aminooxy-3-(4-methylphenyl)propanoate has a molecular weight of 209.24 g/mol, XLogP of 0.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-aminooxy-3-(4-methylphenyl)propanoate is sourced from PubChem (CID 163416905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).