2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid

C13H19NO5 — CID 117426372

IUPAC2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
SMILESCCOc1cc(CC(N)C(=O)O)c(OC)cc1OC
InChIInChI=1S/C13H19NO5/c1-4-19-12-6-8(5-9(14)13(15)16)10(17-2)7-11(12)18-3/h6-7,9H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyLABVFLWEDJLYGK-UHFFFAOYSA-N
MW269.30 g/mol
LogP1.06
Rot. Bonds7

About 2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid

2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid (PubChem CID 117426372) has the molecular formula C13H19NO5 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
PubChem CID117426372
Molecular FormulaC13H19NO5
Molecular Weight269.30 g/mol
Exact Mass269.13
IUPAC Name2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
SMILESCCOc1cc(CC(N)C(=O)O)c(OC)cc1OC
InChIInChI=1S/C13H19NO5/c1-4-19-12-6-8(5-9(14)13(15)16)10(17-2)7-11(12)18-3/h6-7,9H,4-5,14H2,1-3H3,(H,15,16)
InChIKeyLABVFLWEDJLYGK-UHFFFAOYSA-N
XLogP1.06
TPSA91.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-3-(4,5-dimethoxy-2-propan-2-ylphenyl)propanoic acid
CID 117421669
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 170879238
2-amino-3-(2,4,5-trimethoxyphenyl)propanehydrazide
CID 116848669
2-amino-3-(2-ethoxyphenyl)propanoic acid
CID 4241494
2-amino-3-(4-fluoro-5-hydroxy-2-methoxyphenyl)propanoic acid
CID 117329895
2-amino-3-(4-fluoro-2-methoxy-5-methylphenyl)propanoic acid
CID 117326521
2-amino-3-(5-(18F)fluoro-2-methoxyphenyl)propanoic acid
CID 146168544
2-amino-3-(2-hydroxy-5-methoxy-4-methylphenyl)propanoic acid
CID 117323060
2-amino-3-(4,5-dimethoxy-2,3-dimethylphenyl)propanoic acid
CID 117385929
(2R)-2-amino-3-(4-chloro-2-methoxyphenyl)propanoic acid
CID 96802774
2-sulfanyl-3-(2,4,5-trimethoxyphenyl)propanoic acid
CID 54919137

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid (CID 117426372) is 2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid is CCOc1cc(CC(N)C(=O)O)c(OC)cc1OC.
What is the InChIKey of 2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid?
The InChIKey is LABVFLWEDJLYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO5/c1-4-19-12-6-8(5-9(14)13(15)16)10(17-2)7-11(12)18-3/h6-7,9H,4-5,14H2,1-3H3,(H,15,16).
What are the key properties of 2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid?
2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid has a molecular weight of 269.30 g/mol, XLogP of 1.06, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid is sourced from PubChem (CID 117426372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).