3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid

C13H19NO3 — CID 43088463

IUPAC3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
SMILESCCOc1ccc(C(C)NCCC(=O)O)cc1
InChIInChI=1S/C13H19NO3/c1-3-17-12-6-4-11(5-7-12)10(2)14-9-8-13(15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyKKICGUHLGAAVFT-UHFFFAOYSA-N
MW237.30 g/mol
LogP2.21
Rot. Bonds7

About 3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid

3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid (PubChem CID 43088463) has the molecular formula C13H19NO3 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid.

Molecular Properties

Compound Name3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
PubChem CID43088463
Molecular FormulaC13H19NO3
Molecular Weight237.30 g/mol
Exact Mass237.14
IUPAC Name3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid
SMILESCCOc1ccc(C(C)NCCC(=O)O)cc1
InChIInChI=1S/C13H19NO3/c1-3-17-12-6-4-11(5-7-12)10(2)14-9-8-13(15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16)
InChIKeyKKICGUHLGAAVFT-UHFFFAOYSA-N
XLogP2.21
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]propanoic acid
CID 81371134
3-[1-(4-ethoxyphenyl)ethylamino]-N,N-diethylpropanamide
CID 60926168
2-[[(1S)-1-(4-ethoxyphenyl)ethyl]amino]ethanol
CID 7446829
N-cyclopropyl-3-[1-(4-ethoxyphenyl)ethylamino]propanamide
CID 79394735
3-(1-phenylethylamino)propanoic acid
CID 2826777
3-[[(1S)-1-(4-chlorophenyl)ethyl]amino]propanoic acid
CID 81352269
3-[1-(4-fluorophenyl)ethylamino]propanoic acid
CID 43087255
1-(4-ethoxyphenyl)-N-(2-ethylsulfonylethyl)ethanamine
CID 103710433
4-[[1-(4-ethoxyphenyl)-1-hydroxypropan-2-yl]amino]butanoic acid
CID 82314024
2-[1-(4-ethoxyphenyl)ethylamino]-N-methylacetamide
CID 43215162
4-[1-[4-(cyanomethoxy)phenyl]ethylamino]butanoic acid
CID 60782816
N-[2-(4-ethoxyphenoxy)ethyl]-1-phenylethanamine
CID 112798597

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid?
The IUPAC name of 3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid (CID 43088463) is 3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid.
What is the SMILES notation for 3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid?
The canonical SMILES for 3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid is CCOc1ccc(C(C)NCCC(=O)O)cc1.
What is the InChIKey of 3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid?
The InChIKey is KKICGUHLGAAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3/c1-3-17-12-6-4-11(5-7-12)10(2)14-9-8-13(15)16/h4-7,10,14H,3,8-9H2,1-2H3,(H,15,16).
What are the key properties of 3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid?
3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid has a molecular weight of 237.30 g/mol, XLogP of 2.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethoxyphenyl)ethylamino]propanoic acid is sourced from PubChem (CID 43088463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).