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

C10H13NO3 — CID 118437547

IUPACethyl 2-(2-amino-5-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(O)ccc1N
InChIInChI=1S/C10H13NO3/c1-2-14-10(13)6-7-5-8(12)3-4-9(7)11/h3-5,12H,2,6,11H2,1H3
InChIKeyRUNXUGGKIGCXRD-UHFFFAOYSA-N
MW195.22 g/mol
LogP1.08
Rot. Bonds3

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

ethyl 2-(2-amino-5-hydroxyphenyl)acetate (PubChem CID 118437547) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is ethyl 2-(2-amino-5-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-(2-amino-5-hydroxyphenyl)acetate
PubChem CID118437547
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Nameethyl 2-(2-amino-5-hydroxyphenyl)acetate
SMILESCCOC(=O)Cc1cc(O)ccc1N
InChIInChI=1S/C10H13NO3/c1-2-14-10(13)6-7-5-8(12)3-4-9(7)11/h3-5,12H,2,6,11H2,1H3
InChIKeyRUNXUGGKIGCXRD-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
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

methyl 2-(2-amino-5-hydroxyphenyl)acetate
CID 84657776
ethyl 2-(2-amino-5-bromophenyl)acetate
CID 170997063
ethyl 2-(4-hydroxy-2-methoxyphenyl)acetate
CID 105463832
ethyl 2-[4-amino-3-(aminomethyl)phenyl]acetate
CID 174585118
ethyl 2-(2-butanoyl-4-hydroxyphenyl)acetate
CID 42629411
butyl 2-(2-amino-5-methylphenyl)acetate
CID 99991630
ethyl 2-(2-ethyl-4-hydroxyphenyl)sulfanylacetate
CID 59732666
ethyl 2-(3-ethoxy-3-oxopropyl)-4-hydroxybenzoate
CID 134641178
ethyl 2-(2-decanoyl-4-hydroxyphenyl)acetate
CID 141184815
ethyl 2-(2,4,6-trihydroxyphenyl)acetate
CID 96710196
ethane;ethyl 2-(2-hydroxyphenyl)acetate
CID 153350759
ethyl 4-(2-amino-4-hydroxyphenyl)but-3-enoate
CID 170795886

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-amino-5-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-(2-amino-5-hydroxyphenyl)acetate (CID 118437547) is ethyl 2-(2-amino-5-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-(2-amino-5-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-(2-amino-5-hydroxyphenyl)acetate is CCOC(=O)Cc1cc(O)ccc1N.
What is the InChIKey of ethyl 2-(2-amino-5-hydroxyphenyl)acetate?
The InChIKey is RUNXUGGKIGCXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c1-2-14-10(13)6-7-5-8(12)3-4-9(7)11/h3-5,12H,2,6,11H2,1H3.
What are the key properties of ethyl 2-(2-amino-5-hydroxyphenyl)acetate?
ethyl 2-(2-amino-5-hydroxyphenyl)acetate has a molecular weight of 195.22 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-amino-5-hydroxyphenyl)acetate is sourced from PubChem (CID 118437547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).