2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid

C15H23NO4 — CID 83049966

IUPAC2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(CC(C)N)cc1OC)C(=O)O
InChIInChI=1S/C15H23NO4/c1-4-5-13(15(17)18)20-12-7-6-11(8-10(2)16)9-14(12)19-3/h6-7,9-10,13H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyXVFVZAOHUWAWRY-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.22
Rot. Bonds8

About 2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid

2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid (PubChem CID 83049966) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is 2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid.

Molecular Properties

Compound Name2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid
PubChem CID83049966
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Name2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid
SMILESCCCC(Oc1ccc(CC(C)N)cc1OC)C(=O)O
InChIInChI=1S/C15H23NO4/c1-4-5-13(15(17)18)20-12-7-6-11(8-10(2)16)9-14(12)19-3/h6-7,9-10,13H,4-5,8,16H2,1-3H3,(H,17,18)
InChIKeyXVFVZAOHUWAWRY-UHFFFAOYSA-N
XLogP2.22
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]pentanoic acid
CID 83037676
2-[2-methoxy-4-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83035506
4-(1-carboxybutoxy)-3-methoxybenzoic acid
CID 83041356
2-[2-(2-aminopropyl)-4-methylphenoxy]pentanoic acid
CID 83048867
2-(4-carbamothioyl-2-methoxyphenoxy)pentanoic acid
CID 83041877
2-[4-(2-aminopropyl)-2-methoxyphenoxy]-N,N-dimethylpropanamide
CID 60908130
2-[4-(2-aminopropyl)-2,6-dimethoxyphenoxy]butanoic acid
CID 64660777
2-(2-amino-4-methoxyphenoxy)pentanoic acid
CID 83037048
3-[4-(2-aminopropyl)-2-methoxyphenoxy]propanamide
CID 60906561
(2S)-2-(4-ethyl-2-methoxyphenoxy)propanoic acid
CID 107663541
2-amino-3-(4-ethoxy-3-methoxyphenyl)propanoic acid
CID 54846805
2-(2-chloro-4-ethylphenoxy)pentanoic acid
CID 54793091

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid?
The IUPAC name of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid (CID 83049966) is 2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid.
What is the SMILES notation for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid?
The canonical SMILES for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid is CCCC(Oc1ccc(CC(C)N)cc1OC)C(=O)O.
What is the InChIKey of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid?
The InChIKey is XVFVZAOHUWAWRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-5-13(15(17)18)20-12-7-6-11(8-10(2)16)9-14(12)19-3/h6-7,9-10,13H,4-5,8,16H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid?
2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid has a molecular weight of 281.35 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid is sourced from PubChem (CID 83049966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).