ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate

C12H17NO4 — CID 62962945

IUPACethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(OC)ccc1O
InChIInChI=1S/C12H17NO4/c1-3-17-12(15)10(13)7-8-6-9(16-2)4-5-11(8)14/h4-6,10,14H,3,7,13H2,1-2H3
InChIKeyBVBSICIISCRGEJ-UHFFFAOYSA-N
MW239.27 g/mol
LogP0.83
Rot. Bonds5

About ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate

ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate (PubChem CID 62962945) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
PubChem CID62962945
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Nameethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(OC)ccc1O
InChIInChI=1S/C12H17NO4/c1-3-17-12(15)10(13)7-8-6-9(16-2)4-5-11(8)14/h4-6,10,14H,3,7,13H2,1-2H3
InChIKeyBVBSICIISCRGEJ-UHFFFAOYSA-N
XLogP0.83
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)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

methyl (2R)-2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 171238032
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
ethyl (2S)-2-amino-3-(2-hydroxy-5-nitrophenyl)propanoate
CID 3088540
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808
ethyl (3R)-3-amino-2-fluoro-3-(2-hydroxy-5-methoxyphenyl)propanoate;hydrochloride
CID 171240573
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
ethyl (2S)-2-amino-3-(6-methoxyquinolin-3-yl)propanoate
CID 18637046
ethyl 2-amino-3-[4-(4-hydroxy-3-iodophenoxy)-3,5-diiodophenyl]propanoate
CID 15920315
ethyl 2-amino-3-[3-(4-methoxyphenyl)phenyl]propanoate
CID 170884966

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate (CID 62962945) is ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate is CCOC(=O)C(N)Cc1cc(OC)ccc1O.
What is the InChIKey of ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate?
The InChIKey is BVBSICIISCRGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-17-12(15)10(13)7-8-6-9(16-2)4-5-11(8)14/h4-6,10,14H,3,7,13H2,1-2H3.
What are the key properties of ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate?
ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate has a molecular weight of 239.27 g/mol, XLogP of 0.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate is sourced from PubChem (CID 62962945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).