2-(2-amino-4-methoxyphenoxy)pentanoic acid

C12H17NO4 — CID 83037048

IUPAC2-(2-amino-4-methoxyphenoxy)pentanoic acid
SMILESCCCC(Oc1ccc(OC)cc1N)C(=O)O
InChIInChI=1S/C12H17NO4/c1-3-4-11(12(14)15)17-10-6-5-8(16-2)7-9(10)13/h5-7,11H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyHBNBRZWWWJTTPI-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.91
Rot. Bonds6

About 2-(2-amino-4-methoxyphenoxy)pentanoic acid

2-(2-amino-4-methoxyphenoxy)pentanoic acid (PubChem CID 83037048) has the molecular formula C12H17NO4 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-(2-amino-4-methoxyphenoxy)pentanoic acid.

Molecular Properties

Compound Name2-(2-amino-4-methoxyphenoxy)pentanoic acid
PubChem CID83037048
Molecular FormulaC12H17NO4
Molecular Weight239.27 g/mol
Exact Mass239.12
IUPAC Name2-(2-amino-4-methoxyphenoxy)pentanoic acid
SMILESCCCC(Oc1ccc(OC)cc1N)C(=O)O
InChIInChI=1S/C12H17NO4/c1-3-4-11(12(14)15)17-10-6-5-8(16-2)7-9(10)13/h5-7,11H,3-4,13H2,1-2H3,(H,14,15)
InChIKeyHBNBRZWWWJTTPI-UHFFFAOYSA-N
XLogP1.91
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-[2-(aminomethyl)-4-methoxyphenoxy]pentanoic acid
CID 83037941
2-[4-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83034354
2-(1-ethoxy-1-oxopentan-2-yl)oxy-5-methoxybenzoic acid
CID 83040391
2-(2-aminophenoxy)-1-(4-methoxyphenyl)pentan-1-one
CID 46307454
2-[2-[(E)-2-carboxyethenyl]-5-methoxyphenoxy]pentanoic acid
CID 83038950
2-[5-methoxy-2-[(propan-2-ylamino)methyl]phenoxy]pentanoic acid
CID 83037173
4-(1-carboxybutoxy)-3-methoxybenzoic acid
CID 83041356
(2-amino-4-methoxyphenyl) propanoate
CID 163982026
2-[4-[(1S)-1-aminoethyl]-2-methoxyphenoxy]pentanoic acid
CID 83037676
2-(4-carbamothioyl-2-methoxyphenoxy)pentanoic acid
CID 83041877
2-[4-(2-aminopropyl)-2-methoxyphenoxy]pentanoic acid
CID 83049966
2-[3-(aminomethyl)-5-methoxyphenoxy]pentanoic acid
CID 103566156

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-methoxyphenoxy)pentanoic acid?
The IUPAC name of 2-(2-amino-4-methoxyphenoxy)pentanoic acid (CID 83037048) is 2-(2-amino-4-methoxyphenoxy)pentanoic acid.
What is the SMILES notation for 2-(2-amino-4-methoxyphenoxy)pentanoic acid?
The canonical SMILES for 2-(2-amino-4-methoxyphenoxy)pentanoic acid is CCCC(Oc1ccc(OC)cc1N)C(=O)O.
What is the InChIKey of 2-(2-amino-4-methoxyphenoxy)pentanoic acid?
The InChIKey is HBNBRZWWWJTTPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO4/c1-3-4-11(12(14)15)17-10-6-5-8(16-2)7-9(10)13/h5-7,11H,3-4,13H2,1-2H3,(H,14,15).
What are the key properties of 2-(2-amino-4-methoxyphenoxy)pentanoic acid?
2-(2-amino-4-methoxyphenoxy)pentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-methoxyphenoxy)pentanoic acid is sourced from PubChem (CID 83037048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).