2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid

C14H21NO4 — CID 83037756

IUPAC2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid
SMILESCCCC(Oc1c(CN)cccc1OCC)C(=O)O
InChIInChI=1S/C14H21NO4/c1-3-6-12(14(16)17)19-13-10(9-15)7-5-8-11(13)18-4-2/h5,7-8,12H,3-4,6,9,15H2,1-2H3,(H,16,17)
InChIKeyOBUHNMUFEATDGW-UHFFFAOYSA-N
MW267.32 g/mol
LogP2.18
Rot. Bonds8

About 2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid

2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid (PubChem CID 83037756) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is 2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid
PubChem CID83037756
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Name2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid
SMILESCCCC(Oc1c(CN)cccc1OCC)C(=O)O
InChIInChI=1S/C14H21NO4/c1-3-6-12(14(16)17)19-13-10(9-15)7-5-8-11(13)18-4-2/h5,7-8,12H,3-4,6,9,15H2,1-2H3,(H,16,17)
InChIKeyOBUHNMUFEATDGW-UHFFFAOYSA-N
XLogP2.18
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(aminomethyl)-6-ethoxyphenoxy]propanamide
CID 43366644
2-[2-(2-aminoethyl)-6-ethoxyphenoxy]butanoic acid
CID 64660569
2-(2-ethylphenoxy)pentanoic acid
CID 83038631
2-[2-(2-aminoethyl)-6-methylphenoxy]pentanoic acid
CID 112614810
2-[2-(aminomethyl)-6-ethoxyphenoxy]-N-butan-2-ylpropanamide
CID 43174613
2-[2-(aminomethyl)-3-chlorophenoxy]pentanoic acid
CID 83036006
2-amino-3-(2,3-diethoxyphenyl)propanoic acid
CID 170879597
methyl 3-[2-(aminomethyl)-6-ethoxyphenoxy]propanoate
CID 63949294
[3-ethoxy-2-(4-methylcyclohexyl)oxyphenyl]methanamine
CID 64748065
(2S)-3-(2-ethoxyphenyl)-2-naphthalen-1-yloxypropanoic acid
CID 100543843
2-[2-(aminomethyl)-4-methoxyphenoxy]pentanoic acid
CID 83037941
ethyl 2-[2-(2-aminoethyl)-6-fluorophenoxy]pentanoate
CID 115957916

Frequently Asked Questions

What is the IUPAC name of 2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid?
The IUPAC name of 2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid (CID 83037756) is 2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid.
What is the SMILES notation for 2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid?
The canonical SMILES for 2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid is CCCC(Oc1c(CN)cccc1OCC)C(=O)O.
What is the InChIKey of 2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid?
The InChIKey is OBUHNMUFEATDGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-3-6-12(14(16)17)19-13-10(9-15)7-5-8-11(13)18-4-2/h5,7-8,12H,3-4,6,9,15H2,1-2H3,(H,16,17).
What are the key properties of 2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid?
2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid has a molecular weight of 267.32 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(aminomethyl)-6-ethoxyphenoxy]pentanoic acid is sourced from PubChem (CID 83037756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).