ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate

C13H19NO3 — CID 170885706

IUPACethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C)c(C)c1O
InChIInChI=1S/C13H19NO3/c1-4-17-13(16)11(14)7-10-6-5-8(2)9(3)12(10)15/h5-6,11,15H,4,7,14H2,1-3H3
InChIKeyOGDIFGXAGSYPHP-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.44
Rot. Bonds4

About ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate

ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate (PubChem CID 170885706) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate
PubChem CID170885706
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Nameethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1ccc(C)c(C)c1O
InChIInChI=1S/C13H19NO3/c1-4-17-13(16)11(14)7-10-6-5-8(2)9(3)12(10)15/h5-6,11,15H,4,7,14H2,1-3H3
InChIKeyOGDIFGXAGSYPHP-UHFFFAOYSA-N
XLogP1.44
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate;hydrochloride
CID 86133997
ethyl 2-amino-3-[4-hydroxy-2-(1-hydroxyethyl)phenyl]propanoate
CID 141446103
ethyl 2-amino-3-(2-bromophenyl)propanoate
CID 3302448
ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 170885000
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
CID 170885808
ethyl 2-amino-3-(2-bromo-5-hydroxyphenyl)propanoate
CID 170884939
ethyl (2S)-2-amino-3-(2-hydroxy-5-nitrophenyl)propanoate
CID 3088540
2-amino-3-(3-bromo-2-hydroxy-4-methylphenyl)propanoic acid
CID 84713730
ethyl 2-amino-3-(5-chloro-2-hydroxy-3,6-dimethylphenyl)propanoate
CID 170885710
ethyl 2-amino-3-(2,4-diethoxyphenyl)propanoate
CID 170885142

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate (CID 170885706) is ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate is CCOC(=O)C(N)Cc1ccc(C)c(C)c1O.
What is the InChIKey of ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate?
The InChIKey is OGDIFGXAGSYPHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-4-17-13(16)11(14)7-10-6-5-8(2)9(3)12(10)15/h5-6,11,15H,4,7,14H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate?
ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate has a molecular weight of 237.30 g/mol, XLogP of 1.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2-hydroxy-3,4-dimethylphenyl)propanoate is sourced from PubChem (CID 170885706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).