4-(N-ethyl-3-hydroxyanilino)butanoic acid

C12H17NO3 — CID 103275044

IUPAC4-(N-ethyl-3-hydroxyanilino)butanoic acid
SMILESCCN(CCCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-2-13(8-4-7-12(15)16)10-5-3-6-11(14)9-10/h3,5-6,9,14H,2,4,7-8H2,1H3,(H,15,16)
InChIKeyQUQRPGRQFREIFD-UHFFFAOYSA-N
MW223.27 g/mol
LogP2.08
Rot. Bonds6

About 4-(N-ethyl-3-hydroxyanilino)butanoic acid

4-(N-ethyl-3-hydroxyanilino)butanoic acid (PubChem CID 103275044) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-(N-ethyl-3-hydroxyanilino)butanoic acid.

Molecular Properties

Compound Name4-(N-ethyl-3-hydroxyanilino)butanoic acid
PubChem CID103275044
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-(N-ethyl-3-hydroxyanilino)butanoic acid
SMILESCCN(CCCC(=O)O)c1cccc(O)c1
InChIInChI=1S/C12H17NO3/c1-2-13(8-4-7-12(15)16)10-5-3-6-11(14)9-10/h3,5-6,9,14H,2,4,7-8H2,1H3,(H,15,16)
InChIKeyQUQRPGRQFREIFD-UHFFFAOYSA-N
XLogP2.08
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 23390580
4-(N-ethylanilino)butanoic acid
CID 11390560
4-(3-hydroxy-N-methylanilino)butanoic acid
CID 103828767
4-(3-bromo-N-propylanilino)butanoic acid
CID 100519019
3-(dioctylamino)phenol
CID 15734569
5-[[ethyl-(3-hydroxyphenyl)carbamoyl]amino]pentanoic acid
CID 107737356
4-(N-ethyl-4-formylanilino)butanoic acid
CID 22561269
4-(3-chloro-N-ethyl-4-methoxyanilino)butanoic acid
CID 100521803
6-(N-ethylanilino)hexan-3-one
CID 106801166
benzene-1,3-diol;bis(heptadecanoic acid)
CID 159990234
ethyl-(3-hydroxyphenyl)carbamic acid
CID 20544636
benzene-1,3-diol;decanoic acid
CID 175490572

Frequently Asked Questions

What is the IUPAC name of 4-(N-ethyl-3-hydroxyanilino)butanoic acid?
The IUPAC name of 4-(N-ethyl-3-hydroxyanilino)butanoic acid (CID 103275044) is 4-(N-ethyl-3-hydroxyanilino)butanoic acid.
What is the SMILES notation for 4-(N-ethyl-3-hydroxyanilino)butanoic acid?
The canonical SMILES for 4-(N-ethyl-3-hydroxyanilino)butanoic acid is CCN(CCCC(=O)O)c1cccc(O)c1.
What is the InChIKey of 4-(N-ethyl-3-hydroxyanilino)butanoic acid?
The InChIKey is QUQRPGRQFREIFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c1-2-13(8-4-7-12(15)16)10-5-3-6-11(14)9-10/h3,5-6,9,14H,2,4,7-8H2,1H3,(H,15,16).
What are the key properties of 4-(N-ethyl-3-hydroxyanilino)butanoic acid?
4-(N-ethyl-3-hydroxyanilino)butanoic acid has a molecular weight of 223.27 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(N-ethyl-3-hydroxyanilino)butanoic acid is sourced from PubChem (CID 103275044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).