2-hydroxyethyl 3-(3-aminophenoxy)propanoate

C11H15NO4 — CID 55136295

IUPAC2-hydroxyethyl 3-(3-aminophenoxy)propanoate
SMILESNc1cccc(OCCC(=O)OCCO)c1
InChIInChI=1S/C11H15NO4/c12-9-2-1-3-10(8-9)15-6-4-11(14)16-7-5-13/h1-3,8,13H,4-7,12H2
InChIKeyGXVWQCFKLWARJB-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.57
Rot. Bonds6

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

2-hydroxyethyl 3-(3-aminophenoxy)propanoate (PubChem CID 55136295) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 2-hydroxyethyl 3-(3-aminophenoxy)propanoate.

Molecular Properties

Compound Name2-hydroxyethyl 3-(3-aminophenoxy)propanoate
PubChem CID55136295
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name2-hydroxyethyl 3-(3-aminophenoxy)propanoate
SMILESNc1cccc(OCCC(=O)OCCO)c1
InChIInChI=1S/C11H15NO4/c12-9-2-1-3-10(8-9)15-6-4-11(14)16-7-5-13/h1-3,8,13H,4-7,12H2
InChIKeyGXVWQCFKLWARJB-UHFFFAOYSA-N
XLogP0.57
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.57
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

2-fluoroethyl 3-(3-aminophenoxy)propanoate
CID 80694480
2-hydroxyethyl 2-(3-aminophenoxy)acetate
CID 61320594
3,3,3-trifluoropropyl 3-(3-aminophenoxy)propanoate
CID 64565534
cyclopropylmethyl 3-(3-aminophenoxy)propanoate
CID 61309800
3-ethoxypropyl 3-(3-aminophenoxy)propanoate
CID 65181006
2-(2-methylpropoxy)ethyl 3-(3-aminophenoxy)propanoate
CID 106448500
2-methylbutyl 3-(3-aminophenoxy)propanoate
CID 62103864
2-pyridin-2-ylethyl 3-(3-aminophenoxy)propanoate
CID 61315045
[2-(ethylamino)-2-oxoethyl] 3-(3-aminophenoxy)propanoate
CID 61315233
pyridin-3-ylmethyl 3-(3-aminophenoxy)propanoate
CID 61315802
6-hydroxyhexyl 2-(3-aminophenoxy)acetate
CID 107706148
(5-ethylthiophen-2-yl)methyl 3-(3-aminophenoxy)propanoate
CID 61316761

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 3-(3-aminophenoxy)propanoate?
The IUPAC name of 2-hydroxyethyl 3-(3-aminophenoxy)propanoate (CID 55136295) is 2-hydroxyethyl 3-(3-aminophenoxy)propanoate.
What is the SMILES notation for 2-hydroxyethyl 3-(3-aminophenoxy)propanoate?
The canonical SMILES for 2-hydroxyethyl 3-(3-aminophenoxy)propanoate is Nc1cccc(OCCC(=O)OCCO)c1.
What is the InChIKey of 2-hydroxyethyl 3-(3-aminophenoxy)propanoate?
The InChIKey is GXVWQCFKLWARJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c12-9-2-1-3-10(8-9)15-6-4-11(14)16-7-5-13/h1-3,8,13H,4-7,12H2.
What are the key properties of 2-hydroxyethyl 3-(3-aminophenoxy)propanoate?
2-hydroxyethyl 3-(3-aminophenoxy)propanoate has a molecular weight of 225.24 g/mol, XLogP of 0.57, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 3-(3-aminophenoxy)propanoate is sourced from PubChem (CID 55136295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).