ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate

C13H19NO4 — CID 15578555

IUPACethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate
SMILESCCOC(=O)CNCC(O)COc1ccccc1
InChIInChI=1S/C13H19NO4/c1-2-17-13(16)9-14-8-11(15)10-18-12-6-4-3-5-7-12/h3-7,11,14-15H,2,8-10H2,1H3
InChIKeyXOYWQZKFQNOFDJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.58
Rot. Bonds8

About ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate

ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate (PubChem CID 15578555) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate.

Molecular Properties

Compound Nameethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate
PubChem CID15578555
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate
SMILESCCOC(=O)CNCC(O)COc1ccccc1
InChIInChI=1S/C13H19NO4/c1-2-17-13(16)9-14-8-11(15)10-18-12-6-4-3-5-7-12/h3-7,11,14-15H,2,8-10H2,1H3
InChIKeyXOYWQZKFQNOFDJ-UHFFFAOYSA-N
XLogP0.58
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate?
The IUPAC name of ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate (CID 15578555) is ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate.
What is the SMILES notation for ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate?
The canonical SMILES for ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate is CCOC(=O)CNCC(O)COc1ccccc1.
What is the InChIKey of ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate?
The InChIKey is XOYWQZKFQNOFDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-17-13(16)9-14-8-11(15)10-18-12-6-4-3-5-7-12/h3-7,11,14-15H,2,8-10H2,1H3.
What are the key properties of ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate?
ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate has a molecular weight of 253.30 g/mol, XLogP of 0.58, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(2-hydroxy-3-phenoxypropyl)amino]acetate is sourced from PubChem (CID 15578555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).