methyl 2-[3-(aminomethyl)phenoxy]acetate

C10H13NO3 — CID 16774115

IUPACmethyl 2-[3-(aminomethyl)phenoxy]acetate
SMILESCOC(=O)COc1cccc(CN)c1
InChIInChI=1S/C10H13NO3/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3
InChIKeyHUXMCFLTUUEWMA-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.70
Rot. Bonds4

About methyl 2-[3-(aminomethyl)phenoxy]acetate

methyl 2-[3-(aminomethyl)phenoxy]acetate (PubChem CID 16774115) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-[3-(aminomethyl)phenoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(aminomethyl)phenoxy]acetate
PubChem CID16774115
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 2-[3-(aminomethyl)phenoxy]acetate
SMILESCOC(=O)COc1cccc(CN)c1
InChIInChI=1S/C10H13NO3/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3
InChIKeyHUXMCFLTUUEWMA-UHFFFAOYSA-N
XLogP0.70
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(aminomethyl)phenoxy]acetate?
The IUPAC name of methyl 2-[3-(aminomethyl)phenoxy]acetate (CID 16774115) is methyl 2-[3-(aminomethyl)phenoxy]acetate.
What is the SMILES notation for methyl 2-[3-(aminomethyl)phenoxy]acetate?
The canonical SMILES for methyl 2-[3-(aminomethyl)phenoxy]acetate is COC(=O)COc1cccc(CN)c1.
What is the InChIKey of methyl 2-[3-(aminomethyl)phenoxy]acetate?
The InChIKey is HUXMCFLTUUEWMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-13-10(12)7-14-9-4-2-3-8(5-9)6-11/h2-5H,6-7,11H2,1H3.
What are the key properties of methyl 2-[3-(aminomethyl)phenoxy]acetate?
methyl 2-[3-(aminomethyl)phenoxy]acetate has a molecular weight of 195.22 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(aminomethyl)phenoxy]acetate is sourced from PubChem (CID 16774115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).