methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate

C10H13NO3 — CID 174377629

IUPACmethyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(O)cc1CN
InChIInChI=1S/C10H13NO3/c1-14-10(13)5-7-2-3-9(12)4-8(7)6-11/h2-4,12H,5-6,11H2,1H3
InChIKeyMXFZLIWFJNKILG-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.57
Rot. Bonds3

About methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate

methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate (PubChem CID 174377629) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate
PubChem CID174377629
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Namemethyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate
SMILESCOC(=O)Cc1ccc(O)cc1CN
InChIInChI=1S/C10H13NO3/c1-14-10(13)5-7-2-3-9(12)4-8(7)6-11/h2-4,12H,5-6,11H2,1H3
InChIKeyMXFZLIWFJNKILG-UHFFFAOYSA-N
XLogP0.57
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate
CID 134658267
2-(aminomethyl)benzene-1,4-diol;hydrobromide
CID 21390124
methyl 2-[4-(aminomethyl)-3-cyano-2-methylphenyl]acetate
CID 134635184
methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
CID 84673872
methyl 2-[4-bromo-2-(methoxymethyl)phenyl]acetate
CID 141482176
methyl 2-[4-(aminomethyl)-3-cyano-2-(difluoromethyl)phenyl]acetate
CID 134658093
methyl 2-[4-(aminomethyl)-5-cyano-2-methylphenyl]acetate
CID 134635196
methyl 2-[4-(aminomethyl)-3-cyano-2-methoxyphenyl]acetate
CID 134640541

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate?
The IUPAC name of methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate (CID 174377629) is methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate.
What is the SMILES notation for methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate?
The canonical SMILES for methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate is COC(=O)Cc1ccc(O)cc1CN.
What is the InChIKey of methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate?
The InChIKey is MXFZLIWFJNKILG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-14-10(13)5-7-2-3-9(12)4-8(7)6-11/h2-4,12H,5-6,11H2,1H3.
What are the key properties of methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate?
methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate has a molecular weight of 195.22 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate is sourced from PubChem (CID 174377629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).