methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate

C11H12N2O3 — CID 134658267

IUPACmethyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate
SMILESCOC(=O)Cc1cc(C#N)c(CN)cc1O
InChIInChI=1S/C11H12N2O3/c1-16-11(15)4-7-2-8(5-12)9(6-13)3-10(7)14/h2-3,14H,4,6,13H2,1H3
InChIKeyZAYOXJLZUSEULJ-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.44
Rot. Bonds3

About methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate

methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate (PubChem CID 134658267) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate
PubChem CID134658267
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Namemethyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate
SMILESCOC(=O)Cc1cc(C#N)c(CN)cc1O
InChIInChI=1S/C11H12N2O3/c1-16-11(15)4-7-2-8(5-12)9(6-13)3-10(7)14/h2-3,14H,4,6,13H2,1H3
InChIKeyZAYOXJLZUSEULJ-UHFFFAOYSA-N
XLogP0.44
TPSA96.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[4-(aminomethyl)-5-cyano-2-methylphenyl]acetate
CID 134635196
methyl 2-[4-(aminomethyl)-2-chloro-5-cyanophenyl]acetate
CID 134658171
methyl 2-(2-cyano-4,5-dihydroxyphenyl)acetate
CID 131304659
ethyl 2-[5-(aminomethyl)-4-cyano-2-hydroxyphenyl]acetate
CID 134652264
methyl 2-[5-(aminomethyl)-4-bromo-2-cyanophenyl]acetate
CID 134658085
methyl 2-[5-(aminomethyl)-2-cyano-4-methoxyphenyl]acetate
CID 134640501
methyl 5-(aminomethyl)-4-cyano-2-hydroxybenzoate
CID 131470636
methyl 2-(5-bromo-4-cyano-2-hydroxyphenyl)acetate
CID 131576437
methyl 2-[2-(aminomethyl)-5-cyano-4-nitrophenyl]acetate
CID 134634124
methyl 2-(2-cyano-4-methoxyphenyl)acetate
CID 67407512
methyl 2-[3-(aminomethyl)-4-cyano-2-methylphenyl]acetate
CID 134634845
ethyl 2-[4-(bromomethyl)-5-cyano-2-hydroxyphenyl]acetate
CID 134652867

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate?
The IUPAC name of methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate (CID 134658267) is methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate.
What is the SMILES notation for methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate?
The canonical SMILES for methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate is COC(=O)Cc1cc(C#N)c(CN)cc1O.
What is the InChIKey of methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate?
The InChIKey is ZAYOXJLZUSEULJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c1-16-11(15)4-7-2-8(5-12)9(6-13)3-10(7)14/h2-3,14H,4,6,13H2,1H3.
What are the key properties of methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate?
methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate has a molecular weight of 220.23 g/mol, XLogP of 0.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(aminomethyl)-5-cyano-2-hydroxyphenyl]acetate is sourced from PubChem (CID 134658267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).