3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid

C15H23NO3 — CID 65060993

IUPAC3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid
SMILESCCC(c1ccc(O)cc1)N(CC)C(C)CC(=O)O
InChIInChI=1S/C15H23NO3/c1-4-14(12-6-8-13(17)9-7-12)16(5-2)11(3)10-15(18)19/h6-9,11,14,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyYXFRZKKHFPUAIB-UHFFFAOYSA-N
MW265.35 g/mol
LogP3.03
Rot. Bonds7

About 3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid

3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid (PubChem CID 65060993) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid.

Molecular Properties

Compound Name3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid
PubChem CID65060993
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid
SMILESCCC(c1ccc(O)cc1)N(CC)C(C)CC(=O)O
InChIInChI=1S/C15H23NO3/c1-4-14(12-6-8-13(17)9-7-12)16(5-2)11(3)10-15(18)19/h6-9,11,14,17H,4-5,10H2,1-3H3,(H,18,19)
InChIKeyYXFRZKKHFPUAIB-UHFFFAOYSA-N
XLogP3.03
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-(3-bromophenyl)propyl-ethylamino]butanoic acid
CID 114079264
3-[ethyl(1-phenylbutyl)amino]butanoic acid
CID 65061148
3-[ethyl(propan-2-yl)amino]butanoic acid
CID 43537443
4-[1-[butan-2-yl(butyl)amino]propyl]phenol
CID 82986448
4-[1-[butan-2-yl(methyl)amino]propyl]phenol
CID 82977219
4-[1-[bis(2-methylpropyl)amino]propyl]phenol
CID 82981957
2-(4-hydroxyphenyl)-3-methylpentanoic acid
CID 83820428
4-[1-[methyl(pentan-3-yl)amino]propyl]phenol
CID 82977173
3-[4-(diethylamino)phenyl]butanoic acid
CID 20697009
(2R,3S)-2,3-bis(4-hydroxyphenyl)pentanoic acid
CID 12962939
3-(4-bromophenyl)-3-(diethylamino)propanoic acid
CID 64527008
4-[(1S)-1-aminoethyl]phenol;(2R)-2-hydroxybutanedioic acid
CID 127256278

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid?
The IUPAC name of 3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid (CID 65060993) is 3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid.
What is the SMILES notation for 3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid?
The canonical SMILES for 3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid is CCC(c1ccc(O)cc1)N(CC)C(C)CC(=O)O.
What is the InChIKey of 3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid?
The InChIKey is YXFRZKKHFPUAIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-4-14(12-6-8-13(17)9-7-12)16(5-2)11(3)10-15(18)19/h6-9,11,14,17H,4-5,10H2,1-3H3,(H,18,19).
What are the key properties of 3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid?
3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid has a molecular weight of 265.35 g/mol, XLogP of 3.03, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-[1-(4-hydroxyphenyl)propyl]amino]butanoic acid is sourced from PubChem (CID 65060993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).