3-(N-ethyl-3-hydroxyanilino)propanoic acid

C11H15NO3 — CID 23390580

IUPAC3-(N-ethyl-3-hydroxyanilino)propanoic acid
SMILESCCN(CCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-12(7-6-11(14)15)9-4-3-5-10(13)8-9/h3-5,8,13H,2,6-7H2,1H3,(H,14,15)
InChIKeyBYEFUVBPNDMDEM-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.69
Rot. Bonds5

About 3-(N-ethyl-3-hydroxyanilino)propanoic acid

3-(N-ethyl-3-hydroxyanilino)propanoic acid (PubChem CID 23390580) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 3-(N-ethyl-3-hydroxyanilino)propanoic acid.

Molecular Properties

Compound Name3-(N-ethyl-3-hydroxyanilino)propanoic acid
PubChem CID23390580
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name3-(N-ethyl-3-hydroxyanilino)propanoic acid
SMILESCCN(CCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C11H15NO3/c1-2-12(7-6-11(14)15)9-4-3-5-10(13)8-9/h3-5,8,13H,2,6-7H2,1H3,(H,14,15)
InChIKeyBYEFUVBPNDMDEM-UHFFFAOYSA-N
XLogP1.69
TPSA60.77 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 ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(N-ethyl-3-hydroxyanilino)butanoic acid
CID 103275044
4-(3-hydroxy-N-methylanilino)butanoic acid
CID 103828767
3-(3-methyl-N-propylanilino)propanoic acid
CID 82317776
2-acetamido-3-(N-ethyl-3-hydroxyanilino)propanoic acid
CID 107736755
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
4-(N-ethylanilino)butanoic acid
CID 11390560
5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid
CID 107737356
methyl 2-acetamido-3-(N-ethyl-3-hydroxyanilino)propanoate
CID 107736745
2-[4-[2-carboxyethyl(ethyl)amino]-2-hydroxybenzoyl]benzoic acid
CID 23390564
3-(N-[2-(diethylamino)-2-oxoethyl]-3-methylanilino)propanoic acid
CID 82316967
methyl 2-bromo-3-(N-ethyl-3-hydroxyanilino)propanoate
CID 107736764
3-[tert-butyl-[(3-hydroxyphenyl)-methylcarbamoyl]amino]propanoic acid
CID 107737269

Frequently Asked Questions

What is the IUPAC name of 3-(N-ethyl-3-hydroxyanilino)propanoic acid?
The IUPAC name of 3-(N-ethyl-3-hydroxyanilino)propanoic acid (CID 23390580) is 3-(N-ethyl-3-hydroxyanilino)propanoic acid.
What is the SMILES notation for 3-(N-ethyl-3-hydroxyanilino)propanoic acid?
The canonical SMILES for 3-(N-ethyl-3-hydroxyanilino)propanoic acid is CCN(CCC(=O)O)c1cccc(O)c1.
What is the InChIKey of 3-(N-ethyl-3-hydroxyanilino)propanoic acid?
The InChIKey is BYEFUVBPNDMDEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-2-12(7-6-11(14)15)9-4-3-5-10(13)8-9/h3-5,8,13H,2,6-7H2,1H3,(H,14,15).
What are the key properties of 3-(N-ethyl-3-hydroxyanilino)propanoic acid?
3-(N-ethyl-3-hydroxyanilino)propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(N-ethyl-3-hydroxyanilino)propanoic acid is sourced from PubChem (CID 23390580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).