2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid

C13H19NO4 — CID 103566156

IUPAC2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid
SMILESCCCC(Oc1cc(CN)cc(OC)c1)C(=O)O
InChIInChI=1S/C13H19NO4/c1-3-4-12(13(15)16)18-11-6-9(8-14)5-10(7-11)17-2/h5-7,12H,3-4,8,14H2,1-2H3,(H,15,16)
InChIKeyUNISAARADLPNSZ-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.79
Rot. Bonds7

About 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid

2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid (PubChem CID 103566156) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid
PubChem CID103566156
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Name2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid
SMILESCCCC(Oc1cc(CN)cc(OC)c1)C(=O)O
InChIInChI=1S/C13H19NO4/c1-3-4-12(13(15)16)18-11-6-9(8-14)5-10(7-11)17-2/h5-7,12H,3-4,8,14H2,1-2H3,(H,15,16)
InChIKeyUNISAARADLPNSZ-UHFFFAOYSA-N
XLogP1.79
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoate
CID 103566157
2-[3-(aminomethyl)-5-methoxyphenoxy]propanamide
CID 103566037
2-[2-(aminomethyl)-4-methoxyphenoxy]pentanoic acid
CID 83037941
2-(2-amino-4-methoxyphenoxy)pentanoic acid
CID 83037048
2-[4-(hydroxymethyl)phenoxy]pentanoic acid
CID 83037900
2-[3-(aminomethyl)-5-methoxyphenoxy]-N-(ethylcarbamoyl)propanamide
CID 103565959
2-[3-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83038303
2-[4-(2-aminoethyl)-2,6-dimethylphenoxy]pentanoic acid
CID 83048971
3-(3,5-dimethoxyphenyl)-2-sulfanylpropanoic acid
CID 60795029
2-(4-propan-2-ylphenoxy)pentanoic acid
CID 54792638
2-(3-fluoro-4-methylphenoxy)pentanoic acid
CID 107168408
2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid
CID 83049966

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid?
The IUPAC name of 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid (CID 103566156) is 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid.
What is the SMILES notation for 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid?
The canonical SMILES for 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid is CCCC(Oc1cc(CN)cc(OC)c1)C(=O)O.
What is the InChIKey of 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid?
The InChIKey is UNISAARADLPNSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-3-4-12(13(15)16)18-11-6-9(8-14)5-10(7-11)17-2/h5-7,12H,3-4,8,14H2,1-2H3,(H,15,16).
What are the key properties of 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid?
2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid is sourced from PubChem (CID 103566156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).