methyl 2-(3-aminophenoxy)butanoate

C11H15NO3 — CID 18433398

IUPACmethyl 2-(3-aminophenoxy)butanoate
SMILESCCC(Oc1cccc(N)c1)C(=O)OC
InChIInChI=1S/C11H15NO3/c1-3-10(11(13)14-2)15-9-6-4-5-8(12)7-9/h4-7,10H,3,12H2,1-2H3
InChIKeyRQYQKDXHRWLSMK-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.60
Rot. Bonds4

About methyl 2-(3-aminophenoxy)butanoate

methyl 2-(3-aminophenoxy)butanoate (PubChem CID 18433398) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is methyl 2-(3-aminophenoxy)butanoate.

Molecular Properties

Compound Namemethyl 2-(3-aminophenoxy)butanoate
PubChem CID18433398
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Namemethyl 2-(3-aminophenoxy)butanoate
SMILESCCC(Oc1cccc(N)c1)C(=O)OC
InChIInChI=1S/C11H15NO3/c1-3-10(11(13)14-2)15-9-6-4-5-8(12)7-9/h4-7,10H,3,12H2,1-2H3
InChIKeyRQYQKDXHRWLSMK-UHFFFAOYSA-N
XLogP1.60
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(3-aminophenoxy)butanamide
CID 62901524
(2S)-2-(3-aminophenoxy)butanoic acid
CID 40788014
methyl 2-(3-cyanophenoxy)butanoate
CID 86007369
methyl 2-(3-ethynylphenoxy)butanoate
CID 87249352
methyl (2R)-2-[3-(chloromethyl)phenoxy]butanoate;methyl (2R)-2-[3-(hydroxymethyl)phenoxy]butanoate
CID 162012555
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287
2-(3-aminophenoxy)-1-(2,4-dibromophenyl)butan-1-one
CID 46307590
2-(3-aminophenoxy)-1-(2,5-dibromophenyl)butan-1-one
CID 46307594
(1-amino-1-oxobutan-2-yl) 2-(3-aminophenoxy)acetate
CID 62901789
1-(3-aminophenoxy)butan-1-ol
CID 173226029
2-(3-aminophenoxy)-2-methoxyacetamide
CID 152507296
ethyl (2S)-2-(3-bromophenoxy)butanoate
CID 40628551

Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-aminophenoxy)butanoate?
The IUPAC name of methyl 2-(3-aminophenoxy)butanoate (CID 18433398) is methyl 2-(3-aminophenoxy)butanoate.
What is the SMILES notation for methyl 2-(3-aminophenoxy)butanoate?
The canonical SMILES for methyl 2-(3-aminophenoxy)butanoate is CCC(Oc1cccc(N)c1)C(=O)OC.
What is the InChIKey of methyl 2-(3-aminophenoxy)butanoate?
The InChIKey is RQYQKDXHRWLSMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-3-10(11(13)14-2)15-9-6-4-5-8(12)7-9/h4-7,10H,3,12H2,1-2H3.
What are the key properties of methyl 2-(3-aminophenoxy)butanoate?
methyl 2-(3-aminophenoxy)butanoate has a molecular weight of 209.25 g/mol, XLogP of 1.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-aminophenoxy)butanoate is sourced from PubChem (CID 18433398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).