ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate

C15H23NO4 — CID 15578592

IUPACethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate
SMILESCCOC(=O)CCNCC(O)COc1ccccc1C
InChIInChI=1S/C15H23NO4/c1-3-19-15(18)8-9-16-10-13(17)11-20-14-7-5-4-6-12(14)2/h4-7,13,16-17H,3,8-11H2,1-2H3
InChIKeyNWWUPEBIDWICHJ-UHFFFAOYSA-N
MW281.35 g/mol
LogP1.28
Rot. Bonds9

About ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate

ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate (PubChem CID 15578592) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate.

Molecular Properties

Compound Nameethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate
PubChem CID15578592
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate
SMILESCCOC(=O)CCNCC(O)COc1ccccc1C
InChIInChI=1S/C15H23NO4/c1-3-19-15(18)8-9-16-10-13(17)11-20-14-7-5-4-6-12(14)2/h4-7,13,16-17H,3,8-11H2,1-2H3
InChIKeyNWWUPEBIDWICHJ-UHFFFAOYSA-N
XLogP1.28
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate 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

Bisoprolol
CID 2405
Alprenolol
CID 2119
Metoprolol
CID 4171
Esmolol Hydrochloride
CID 104769
Betaxolol
CID 2369
Esmolol
CID 59768
Penbutolol
CID 37464
Toliprolol
CID 18047
Levobetaxolol
CID 60657
Alprenolol Hydrochloride
CID 66368
Metoprolol Succinate
CID 62937
Metoprolol Acid
CID 62936

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate?
The IUPAC name of ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate (CID 15578592) is ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate.
What is the SMILES notation for ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate?
The canonical SMILES for ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate is CCOC(=O)CCNCC(O)COc1ccccc1C.
What is the InChIKey of ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate?
The InChIKey is NWWUPEBIDWICHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-3-19-15(18)8-9-16-10-13(17)11-20-14-7-5-4-6-12(14)2/h4-7,13,16-17H,3,8-11H2,1-2H3.
What are the key properties of ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate?
ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate has a molecular weight of 281.35 g/mol, XLogP of 1.28, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[[2-hydroxy-3-(2-methylphenoxy)propyl]amino]propanoate is sourced from PubChem (CID 15578592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).