methyl 3-(5-amino-2-methoxyphenoxy)propanoate

C11H15NO4 — CID 63948668

IUPACmethyl 3-(5-amino-2-methoxyphenoxy)propanoate
SMILESCOC(=O)CCOc1cc(N)ccc1OC
InChIInChI=1S/C11H15NO4/c1-14-9-4-3-8(12)7-10(9)16-6-5-11(13)15-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyVPELZFBHTGLEHO-UHFFFAOYSA-N
MW225.24 g/mol
LogP1.22
Rot. Bonds5

About methyl 3-(5-amino-2-methoxyphenoxy)propanoate

methyl 3-(5-amino-2-methoxyphenoxy)propanoate (PubChem CID 63948668) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is methyl 3-(5-amino-2-methoxyphenoxy)propanoate.

Molecular Properties

Compound Namemethyl 3-(5-amino-2-methoxyphenoxy)propanoate
PubChem CID63948668
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Namemethyl 3-(5-amino-2-methoxyphenoxy)propanoate
SMILESCOC(=O)CCOc1cc(N)ccc1OC
InChIInChI=1S/C11H15NO4/c1-14-9-4-3-8(12)7-10(9)16-6-5-11(13)15-2/h3-4,7H,5-6,12H2,1-2H3
InChIKeyVPELZFBHTGLEHO-UHFFFAOYSA-N
XLogP1.22
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(5-amino-2-methoxyphenoxy)propanoic acid
CID 63948669
methyl 3-[5-(ethylaminomethyl)-2-methoxyphenoxy]propanoate
CID 63950104
methyl 4-(4-amino-2-chlorophenoxy)butanoate
CID 43377677
2-(5-amino-2-methoxyphenoxy)acetic acid
CID 59419305
methyl 3-(5-amino-2-methoxyphenoxy)-2,2-dimethylpropanoate
CID 79622855
3-(2-ethylsulfonylethoxy)-4-methoxyaniline
CID 43807344
methyl 3-[(4-amino-2-methoxyphenyl)methylsulfanyl]propanoate
CID 114112310
methyl 3-[2-amino-4-(trifluoromethyl)phenoxy]propanoate
CID 82007655
methyl 5-(5-formyl-2-methoxyphenoxy)pentanoate
CID 87741357
methyl 3-[(4-amino-2-methoxyphenyl)sulfonylamino]propanoate
CID 43665942
3-(4-amino-2-methoxyphenoxy)propan-1-ol
CID 21422985
4-methoxy-3-(3-phenoxypropoxy)aniline
CID 62936938

Frequently Asked Questions

What is the IUPAC name of methyl 3-(5-amino-2-methoxyphenoxy)propanoate?
The IUPAC name of methyl 3-(5-amino-2-methoxyphenoxy)propanoate (CID 63948668) is methyl 3-(5-amino-2-methoxyphenoxy)propanoate.
What is the SMILES notation for methyl 3-(5-amino-2-methoxyphenoxy)propanoate?
The canonical SMILES for methyl 3-(5-amino-2-methoxyphenoxy)propanoate is COC(=O)CCOc1cc(N)ccc1OC.
What is the InChIKey of methyl 3-(5-amino-2-methoxyphenoxy)propanoate?
The InChIKey is VPELZFBHTGLEHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-14-9-4-3-8(12)7-10(9)16-6-5-11(13)15-2/h3-4,7H,5-6,12H2,1-2H3.
What are the key properties of methyl 3-(5-amino-2-methoxyphenoxy)propanoate?
methyl 3-(5-amino-2-methoxyphenoxy)propanoate has a molecular weight of 225.24 g/mol, XLogP of 1.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(5-amino-2-methoxyphenoxy)propanoate is sourced from PubChem (CID 63948668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).