2-hydroxyethyl 2-(3-aminophenoxy)acetate

C10H13NO4 — CID 61320594

IUPAC2-hydroxyethyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCCO)c1
InChIInChI=1S/C10H13NO4/c11-8-2-1-3-9(6-8)15-7-10(13)14-5-4-12/h1-3,6,12H,4-5,7,11H2
InChIKeyVWHPUUZINNDIKR-UHFFFAOYSA-N
MW211.22 g/mol
LogP0.18
Rot. Bonds5

About 2-hydroxyethyl 2-(3-aminophenoxy)acetate

2-hydroxyethyl 2-(3-aminophenoxy)acetate (PubChem CID 61320594) has the molecular formula C10H13NO4 and a molecular weight of 211.22 g/mol. Its IUPAC name is 2-hydroxyethyl 2-(3-aminophenoxy)acetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-(3-aminophenoxy)acetate
PubChem CID61320594
Molecular FormulaC10H13NO4
Molecular Weight211.22 g/mol
Exact Mass211.08
IUPAC Name2-hydroxyethyl 2-(3-aminophenoxy)acetate
SMILESNc1cccc(OCC(=O)OCCO)c1
InChIInChI=1S/C10H13NO4/c11-8-2-1-3-9(6-8)15-7-10(13)14-5-4-12/h1-3,6,12H,4-5,7,11H2
InChIKeyVWHPUUZINNDIKR-UHFFFAOYSA-N
XLogP0.18
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-hydroxyhexyl 2-(3-aminophenoxy)acetate
CID 107706148
2-hydroxyethyl 3-(3-aminophenoxy)propanoate
CID 55136295
(3-amino-3-oxopropyl) 2-(3-aminophenoxy)acetate
CID 54979087
[3-(dimethylamino)-3-oxopropyl] 2-(3-aminophenoxy)acetate
CID 61322470
3-phenylpropyl 2-(3-aminophenoxy)acetate
CID 61321902
2-hydroxyethyl 2-naphthalen-2-yloxyacetate
CID 21297754
2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
cyclobutylmethyl 2-(3-aminophenoxy)acetate
CID 65457241
cyclopentylmethyl 2-(3-aminophenoxy)acetate
CID 61343036
(4-methoxyphenyl)methyl 2-(3-aminophenoxy)acetate
CID 61310068
[2-(tert-butylamino)-2-oxoethyl] 2-(3-aminophenoxy)acetate
CID 61320779
3-imidazol-1-ylpropyl 2-(3-aminophenoxy)acetate
CID 61493245

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-(3-aminophenoxy)acetate?
The IUPAC name of 2-hydroxyethyl 2-(3-aminophenoxy)acetate (CID 61320594) is 2-hydroxyethyl 2-(3-aminophenoxy)acetate.
What is the SMILES notation for 2-hydroxyethyl 2-(3-aminophenoxy)acetate?
The canonical SMILES for 2-hydroxyethyl 2-(3-aminophenoxy)acetate is Nc1cccc(OCC(=O)OCCO)c1.
What is the InChIKey of 2-hydroxyethyl 2-(3-aminophenoxy)acetate?
The InChIKey is VWHPUUZINNDIKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4/c11-8-2-1-3-9(6-8)15-7-10(13)14-5-4-12/h1-3,6,12H,4-5,7,11H2.
What are the key properties of 2-hydroxyethyl 2-(3-aminophenoxy)acetate?
2-hydroxyethyl 2-(3-aminophenoxy)acetate has a molecular weight of 211.22 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-(3-aminophenoxy)acetate is sourced from PubChem (CID 61320594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).