methyl 2-(2-amino-5-hydroxyphenyl)acetate

C9H11NO3 — CID 84657776

IUPACmethyl 2-(2-amino-5-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(O)ccc1N
InChIInChI=1S/C9H11NO3/c1-13-9(12)5-6-4-7(11)2-3-8(6)10/h2-4,11H,5,10H2,1H3
InChIKeyBOEMFALOBOQJKJ-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.69
Rot. Bonds2

About methyl 2-(2-amino-5-hydroxyphenyl)acetate

methyl 2-(2-amino-5-hydroxyphenyl)acetate (PubChem CID 84657776) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is methyl 2-(2-amino-5-hydroxyphenyl)acetate.

Molecular Properties

Compound Namemethyl 2-(2-amino-5-hydroxyphenyl)acetate
PubChem CID84657776
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Namemethyl 2-(2-amino-5-hydroxyphenyl)acetate
SMILESCOC(=O)Cc1cc(O)ccc1N
InChIInChI=1S/C9H11NO3/c1-13-9(12)5-6-4-7(11)2-3-8(6)10/h2-4,11H,5,10H2,1H3
InChIKeyBOEMFALOBOQJKJ-UHFFFAOYSA-N
XLogP0.69
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 118437547
methyl 2-[4-hydroxy-2-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356355
methyl 2-[4-amino-3-(2-methoxy-2-oxoethyl)phenyl]acetate
CID 19356382
methyl 2-[2-(aminomethyl)-4-hydroxyphenyl]acetate
CID 174377629
methyl 5-hydroxy-2-(2-methoxy-2-oxoethyl)benzoate
CID 131876031
methyl 2-(2-amino-4-fluorophenyl)acetate
CID 54072159
methyl 2-[2-amino-5-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]phenyl]acetate
CID 19698379
methyl 2-(5-hydroxy-1-benzofuran-3-yl)acetate
CID 84673872
methyl 3-(2-ethyl-4-hydroxyphenyl)propanoate
CID 69115976
methyl 2-(4-amino-3-iodophenyl)acetate
CID 46941390
methyl 2-(4-aminonaphthalen-1-yl)acetate;hydrochloride
CID 44533305
2-(2-amino-5-hydroxyphenyl)-N-[4-(dimethylamino)phenyl]acetamide
CID 69336605

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-amino-5-hydroxyphenyl)acetate?
The IUPAC name of methyl 2-(2-amino-5-hydroxyphenyl)acetate (CID 84657776) is methyl 2-(2-amino-5-hydroxyphenyl)acetate.
What is the SMILES notation for methyl 2-(2-amino-5-hydroxyphenyl)acetate?
The canonical SMILES for methyl 2-(2-amino-5-hydroxyphenyl)acetate is COC(=O)Cc1cc(O)ccc1N.
What is the InChIKey of methyl 2-(2-amino-5-hydroxyphenyl)acetate?
The InChIKey is BOEMFALOBOQJKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c1-13-9(12)5-6-4-7(11)2-3-8(6)10/h2-4,11H,5,10H2,1H3.
What are the key properties of methyl 2-(2-amino-5-hydroxyphenyl)acetate?
methyl 2-(2-amino-5-hydroxyphenyl)acetate has a molecular weight of 181.19 g/mol, XLogP of 0.69, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-amino-5-hydroxyphenyl)acetate is sourced from PubChem (CID 84657776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).