2-amino-3-(2-ethoxyphenyl)propanoic acid

C11H15NO3 — CID 4241494

IUPAC2-amino-3-(2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccccc1CC(N)C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-15-10-6-4-3-5-8(10)7-9(12)11(13)14/h3-6,9H,2,7,12H2,1H3,(H,13,14)
InChIKeyBAXARNMSRZWGGW-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.04
Rot. Bonds5

About 2-amino-3-(2-ethoxyphenyl)propanoic acid

2-amino-3-(2-ethoxyphenyl)propanoic acid (PubChem CID 4241494) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-amino-3-(2-ethoxyphenyl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2-ethoxyphenyl)propanoic acid
PubChem CID4241494
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name2-amino-3-(2-ethoxyphenyl)propanoic acid
SMILESCCOc1ccccc1CC(N)C(=O)O
InChIInChI=1S/C11H15NO3/c1-2-15-10-6-4-3-5-8(10)7-9(12)11(13)14/h3-6,9H,2,7,12H2,1H3,(H,13,14)
InChIKeyBAXARNMSRZWGGW-UHFFFAOYSA-N
XLogP1.04
TPSA72.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-3-(3-ethoxy-2-hydroxyphenyl)propanoic acid
CID 62963313
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
(2S)-2-ethoxy-3-(2-ethoxyphenyl)propanoic acid
CID 100543964
2-amino-3-(5-bromo-2-ethoxyphenyl)propanoic acid
CID 170879238
(2R)-3-(2-ethoxyphenyl)-2-propan-2-yloxypropanoic acid
CID 100543995
2-amino-3-(2-ethoxy-3-pyridinyl)propanoic acid
CID 170879502
(2S)-2-amino-3-(2-fluorosulfonyloxyphenyl)propanoic acid
CID 170899573
2-amino-3-(5-ethoxy-2,4-dimethoxyphenyl)propanoic acid
CID 117426372
(2S)-2-amino-N-[2-(2-ethoxyphenyl)ethyl]-4-methylpentanamide
CID 119772916
2-amino-N-[2-(2-ethoxyphenyl)ethyl]pentanamide
CID 119317373
(2S)-2-amino-3-(2,3-dimethoxyphenyl)propanoic acid
CID 40616340
(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100543843

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-ethoxyphenyl)propanoic acid?
The IUPAC name of 2-amino-3-(2-ethoxyphenyl)propanoic acid (CID 4241494) is 2-amino-3-(2-ethoxyphenyl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2-ethoxyphenyl)propanoic acid?
The canonical SMILES for 2-amino-3-(2-ethoxyphenyl)propanoic acid is CCOc1ccccc1CC(N)C(=O)O.
What is the InChIKey of 2-amino-3-(2-ethoxyphenyl)propanoic acid?
The InChIKey is BAXARNMSRZWGGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-15-10-6-4-3-5-8(10)7-9(12)11(13)14/h3-6,9H,2,7,12H2,1H3,(H,13,14).
What are the key properties of 2-amino-3-(2-ethoxyphenyl)propanoic acid?
2-amino-3-(2-ethoxyphenyl)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-ethoxyphenyl)propanoic acid is sourced from PubChem (CID 4241494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).