ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate

C19H23NO5 — CID 142664722

IUPACethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)[C@@H](N)Cc1ccc(-c2c(OC)cc(O)cc2OC)cc1
InChIInChI=1S/C19H23NO5/c1-4-25-19(22)15(20)9-12-5-7-13(8-6-12)18-16(23-2)10-14(21)11-17(18)24-3/h5-8,10-11,15,21H,4,9,20H2,1-3H3/t15-/m0/s1
InChIKeyZDTAVDWZBGGKFT-HNNXBMFYSA-N
MW345.40 g/mol
LogP2.51
Rot. Bonds7

About ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate

ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate (PubChem CID 142664722) has the molecular formula C19H23NO5 and a molecular weight of 345.40 g/mol. Its IUPAC name is ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate.

Molecular Properties

Compound Nameethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate
PubChem CID142664722
Molecular FormulaC19H23NO5
Molecular Weight345.40 g/mol
Exact Mass345.16
IUPAC Nameethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate
SMILESCCOC(=O)[C@@H](N)Cc1ccc(-c2c(OC)cc(O)cc2OC)cc1
InChIInChI=1S/C19H23NO5/c1-4-25-19(22)15(20)9-12-5-7-13(8-6-12)18-16(23-2)10-14(21)11-17(18)24-3/h5-8,10-11,15,21H,4,9,20H2,1-3H3/t15-/m0/s1
InChIKeyZDTAVDWZBGGKFT-HNNXBMFYSA-N
XLogP2.51
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-amino-3-[4-(3,4-dimethoxyphenyl)phenyl]propanoate
CID 170884969
ethyl 2-amino-3-[4-(3,4,5-trimethoxyphenyl)phenyl]propanoate
CID 170885824
azane;ethyl 2-amino-3-(4-hydroxyphenyl)propanoate;hydrofluoride
CID 174185401
ethyl 2-amino-3-[4-(4-butylphenyl)phenyl]propanoate
CID 170885040
ethyl 2-amino-3-[4-methoxy-3-[(4-methylphenoxy)methyl]phenyl]propanoate
CID 170885406
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
ethyl 2-amino-3-(5-chloro-2-hydroxy-3-methoxyphenyl)propanoate
CID 112694609
ethyl 2-amino-3-(3-bromo-4-hydroxy-5-methoxyphenyl)propanoate
CID 55152164
ethyl (2S)-2-amino-3-(3-hydroxyphenyl)propanoate
CID 54017853
ethyl (2S)-2-amino-3-(3,4-dichlorophenyl)propanoate
CID 11043551
ethyl 2-amino-3-(4-tert-butylphenyl)propanoate
CID 3527165
ethyl 2-amino-3-[4-(2-ethoxy-2-oxoethyl)phenyl]propanoate
CID 10446326

Frequently Asked Questions

What is the IUPAC name of ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate?
The IUPAC name of ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate (CID 142664722) is ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate.
What is the SMILES notation for ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate?
The canonical SMILES for ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate is CCOC(=O)[C@@H](N)Cc1ccc(-c2c(OC)cc(O)cc2OC)cc1.
What is the InChIKey of ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate?
The InChIKey is ZDTAVDWZBGGKFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23NO5/c1-4-25-19(22)15(20)9-12-5-7-13(8-6-12)18-16(23-2)10-14(21)11-17(18)24-3/h5-8,10-11,15,21H,4,9,20H2,1-3H3/t15-/m0/s1.
What are the key properties of ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate?
ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate has a molecular weight of 345.40 g/mol, XLogP of 2.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S)-2-amino-3-[4-(4-hydroxy-2,6-dimethoxyphenyl)phenyl]propanoate is sourced from PubChem (CID 142664722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).