ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate

C13H19NO4 — CID 170892106

IUPACethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1CC(N)CO
InChIInChI=1S/C13H19NO4/c1-2-17-13(16)9-18-12-6-4-3-5-10(12)7-11(14)8-15/h3-6,11,15H,2,7-9,14H2,1H3
InChIKeyKDYQGHZBCSWQSG-UHFFFAOYSA-N
MW253.30 g/mol
LogP0.49
Rot. Bonds7

About ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate

ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate (PubChem CID 170892106) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate
PubChem CID170892106
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate
SMILESCCOC(=O)COc1ccccc1CC(N)CO
InChIInChI=1S/C13H19NO4/c1-2-17-13(16)9-18-12-6-4-3-5-10(12)7-11(14)8-15/h3-6,11,15H,2,7-9,14H2,1H3
InChIKeyKDYQGHZBCSWQSG-UHFFFAOYSA-N
XLogP0.49
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 2-[2-(2-aminobutyl)phenoxy]acetate
CID 54930626
ethyl 2-[2-(2-aminopropyl)-6-ethoxyphenoxy]acetate
CID 60907512
ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride
CID 170891770
ethyl 2-[2-(1-aminopropyl)phenoxy]acetate
CID 60877898
(2-ethoxy-2-oxoethyl) 2-(2-methylphenoxy)acetate
CID 177256243
ethyl 2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetate
CID 78931582
ethyl 2-[2-(2-aminopropyl)-4-methylphenoxy]acetate
CID 63326114
ethyl 2-[2-(2-aminopropyl)-3-chlorophenoxy]acetate
CID 114321887
2-[2-(2-aminopropyl)phenoxy]acetic acid
CID 170890895
2-(2-ethoxy-2-oxoethoxy)benzoic acid
CID 1302464
ethyl 2-[2-(1-hydroxypropyl)phenoxy]acetate
CID 43503550
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate?
The IUPAC name of ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate (CID 170892106) is ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate is CCOC(=O)COc1ccccc1CC(N)CO.
What is the InChIKey of ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate?
The InChIKey is KDYQGHZBCSWQSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-2-17-13(16)9-18-12-6-4-3-5-10(12)7-11(14)8-15/h3-6,11,15H,2,7-9,14H2,1H3.
What are the key properties of ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate?
ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate has a molecular weight of 253.30 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate is sourced from PubChem (CID 170892106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).