ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride

C14H22ClNO5 — CID 170891770

IUPACethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride
SMILESCCOC(=O)COc1ccc(CC(N)CO)cc1OC.Cl
InChIInChI=1S/C14H21NO5.ClH/c1-3-19-14(17)9-20-12-5-4-10(6-11(15)8-16)7-13(12)18-2;/h4-5,7,11,16H,3,6,8-9,15H2,1-2H3;1H
InChIKeyQJSNDFZCLDPQMO-UHFFFAOYSA-N
MW319.79 g/mol
LogP0.92
Rot. Bonds8

About ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride

ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride (PubChem CID 170891770) has the molecular formula C14H22ClNO5 and a molecular weight of 319.79 g/mol. Its IUPAC name is ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride.

Molecular Properties

Compound Nameethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride
PubChem CID170891770
Molecular FormulaC14H22ClNO5
Molecular Weight319.79 g/mol
Exact Mass319.12
IUPAC Nameethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride
SMILESCCOC(=O)COc1ccc(CC(N)CO)cc1OC.Cl
InChIInChI=1S/C14H21NO5.ClH/c1-3-19-14(17)9-20-12-5-4-10(6-11(15)8-16)7-13(12)18-2;/h4-5,7,11,16H,3,6,8-9,15H2,1-2H3;1H
InChIKeyQJSNDFZCLDPQMO-UHFFFAOYSA-N
XLogP0.92
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride 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

ethyl 2-[4-(2-aminobutyl)-2-methoxyphenoxy]acetate
CID 60906795
ethyl 2-[2-(2-amino-3-hydroxypropyl)phenoxy]acetate
CID 170892106
ethyl 2-(4-formyl-2-methoxyphenoxy)acetate
CID 968872
3-[3,4-bis(2-ethoxy-2-oxoethoxy)phenyl]-2-(methoxycarbonylamino)propanoic acid
CID 22951667
ethyl 3-chloro-4-(3,4-dimethoxyphenyl)butanoate
CID 82352130
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylacetamide
CID 54929408
ethyl (3R)-3-amino-5-(3,4-dimethoxyphenyl)pentanoate
CID 23533716
2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propan-1-ol
CID 170892877
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N-methyl-N-propan-2-ylacetamide
CID 60907017
2-[4-(2-aminobutyl)-2-methoxyphenoxy]-N-cyclopropylacetamide
CID 60908010
[2-acetyloxy-4-(2-amino-3-hydroxypropyl)phenyl] acetate
CID 170892206

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride?
The IUPAC name of ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride (CID 170891770) is ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride.
What is the SMILES notation for ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride?
The canonical SMILES for ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride is CCOC(=O)COc1ccc(CC(N)CO)cc1OC.Cl.
What is the InChIKey of ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride?
The InChIKey is QJSNDFZCLDPQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5.ClH/c1-3-19-14(17)9-20-12-5-4-10(6-11(15)8-16)7-13(12)18-2;/h4-5,7,11,16H,3,6,8-9,15H2,1-2H3;1H.
What are the key properties of ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride?
ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride has a molecular weight of 319.79 g/mol, XLogP of 0.92, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-(2-amino-3-hydroxypropyl)-2-methoxyphenoxy]acetate;hydrochloride is sourced from PubChem (CID 170891770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).