2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid

C15H23NO3 — CID 69268566

IUPAC2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid
SMILESCCC(CCc1ccc(O)cc1)CC(CN)C(=O)O
InChIInChI=1S/C15H23NO3/c1-2-11(9-13(10-16)15(18)19)3-4-12-5-7-14(17)8-6-12/h5-8,11,13,17H,2-4,9-10,16H2,1H3,(H,18,19)
InChIKeyUWODYYFPXJNOLX-UHFFFAOYSA-N
MW265.35 g/mol
LogP2.40
Rot. Bonds8

About 2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid

2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid (PubChem CID 69268566) has the molecular formula C15H23NO3 and a molecular weight of 265.35 g/mol. Its IUPAC name is 2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid.

Molecular Properties

Compound Name2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid
PubChem CID69268566
Molecular FormulaC15H23NO3
Molecular Weight265.35 g/mol
Exact Mass265.17
IUPAC Name2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid
SMILESCCC(CCc1ccc(O)cc1)CC(CN)C(=O)O
InChIInChI=1S/C15H23NO3/c1-2-11(9-13(10-16)15(18)19)3-4-12-5-7-14(17)8-6-12/h5-8,11,13,17H,2-4,9-10,16H2,1H3,(H,18,19)
InChIKeyUWODYYFPXJNOLX-UHFFFAOYSA-N
XLogP2.40
TPSA83.55 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.35
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(aminomethyl)-4-ethyl-6-(4-fluorophenyl)hexanoic acid
CID 69269638
2-(aminomethyl)-6-(3,4-dihydroxyphenyl)-4-ethylhexanoic acid
CID 69267514
2-(aminomethyl)-6-(3,4-difluorophenyl)-4-ethylhexanoic acid
CID 69269319
2-(aminomethyl)-4-ethyl-6-[4-(trifluoromethoxy)phenyl]hexanoic acid
CID 69268098
2-(aminomethyl)-7-(4-chlorophenyl)-4-ethylheptanoic acid
CID 69268919
2-(aminomethyl)-6-(3,4-diethoxyphenyl)-4-ethylhexanoic acid
CID 69267130
2-(aminomethyl)-4-ethyl-7-(3-hydroxyphenyl)heptanoic acid
CID 69269231
2-(aminomethyl)-6-(2,6-dichlorophenyl)-4-ethylhexanoic acid
CID 69269632
2-(aminomethyl)-4-ethyl-6-[3-(trifluoromethyl)phenyl]hexanoic acid
CID 69267994
2-(aminomethyl)-6-[3,5-bis(trifluoromethoxy)phenyl]-4-ethylhexanoic acid
CID 87760722
2-(aminomethyl)-7-[3,4-bis(trifluoromethyl)phenyl]-4-ethylheptanoic acid
CID 87759817
2-(aminomethyl)-4-ethyl-7-(2,3,5,6-tetrahydroxyphenyl)heptanoic acid
CID 87759622

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid?
The IUPAC name of 2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid (CID 69268566) is 2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid.
What is the SMILES notation for 2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid?
The canonical SMILES for 2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid is CCC(CCc1ccc(O)cc1)CC(CN)C(=O)O.
What is the InChIKey of 2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid?
The InChIKey is UWODYYFPXJNOLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO3/c1-2-11(9-13(10-16)15(18)19)3-4-12-5-7-14(17)8-6-12/h5-8,11,13,17H,2-4,9-10,16H2,1H3,(H,18,19).
What are the key properties of 2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid?
2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid has a molecular weight of 265.35 g/mol, XLogP of 2.40, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-4-ethyl-6-(4-hydroxyphenyl)hexanoic acid is sourced from PubChem (CID 69268566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).