ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate

C13H19NO4 — CID 170885808

IUPACethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(C)cc(OC)c1O
InChIInChI=1S/C13H19NO4/c1-4-18-13(16)10(14)7-9-5-8(2)6-11(17-3)12(9)15/h5-6,10,15H,4,7,14H2,1-3H3
InChIKeyOUOYRZSXETZGNR-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.14
Rot. Bonds5

About ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate

ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate (PubChem CID 170885808) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
PubChem CID170885808
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Nameethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate
SMILESCCOC(=O)C(N)Cc1cc(C)cc(OC)c1O
InChIInChI=1S/C13H19NO4/c1-4-18-13(16)10(14)7-9-5-8(2)6-11(17-3)12(9)15/h5-6,10,15H,4,7,14H2,1-3H3
InChIKeyOUOYRZSXETZGNR-UHFFFAOYSA-N
XLogP1.14
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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
methyl 2-amino-3-(5-ethyl-2-hydroxy-3-methoxyphenyl)propanoate
CID 170884311
2-ethyl-6-methoxy-4-methylphenol
CID 23597037
ethyl 2-amino-3-(3,5-difluoro-2-hydroxyphenyl)propanoate
CID 170885000
ethyl 2-amino-3-(2,5-dimethoxyphenyl)propanoate
CID 4284804
ethyl 2-amino-3-(4-fluoro-2-methoxyphenyl)propanoate
CID 170885221
ethyl 2-amino-3-(2-hydroxy-5-methoxyphenyl)propanoate
CID 62962945
ethyl 2-amino-3-(2,4-dimethylphenyl)propanoate
CID 4031511
ethyl 2-amino-3-(2-bromo-5-hydroxyphenyl)propanoate
CID 170884939
ethyl 2-amino-3-(2-hydroxyphenyl)propanoate
CID 14009054
ethyl 2-amino-3-[3-[(2-chloro-4-methylphenoxy)methyl]-4-methoxyphenyl]propanoate
CID 170885623

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate?
The IUPAC name of ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate (CID 170885808) is ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate is CCOC(=O)C(N)Cc1cc(C)cc(OC)c1O.
What is the InChIKey of ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate?
The InChIKey is OUOYRZSXETZGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-18-13(16)10(14)7-9-5-8(2)6-11(17-3)12(9)15/h5-6,10,15H,4,7,14H2,1-3H3.
What are the key properties of ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate?
ethyl 2-amino-3-(2-hydroxy-3-methoxy-5-methylphenyl)propanoate has a molecular weight of 253.30 g/mol, XLogP of 1.14, 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-3-methoxy-5-methylphenyl)propanoate is sourced from PubChem (CID 170885808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).