methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate

C13H19NO4 — CID 46871862

IUPACmethyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate
SMILESCCCc1cc(OC)c(OCC(=O)OC)cc1N
InChIInChI=1S/C13H19NO4/c1-4-5-9-6-11(16-2)12(7-10(9)14)18-8-13(15)17-3/h6-7H,4-5,8,14H2,1-3H3
InChIKeyKDQVHDZZXULKAC-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.78
Rot. Bonds6

About methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate

methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate (PubChem CID 46871862) has the molecular formula C13H19NO4 and a molecular weight of 253.30 g/mol. Its IUPAC name is methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate.

Molecular Properties

Compound Namemethyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate
PubChem CID46871862
Molecular FormulaC13H19NO4
Molecular Weight253.30 g/mol
Exact Mass253.13
IUPAC Namemethyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate
SMILESCCCc1cc(OC)c(OCC(=O)OC)cc1N
InChIInChI=1S/C13H19NO4/c1-4-5-9-6-11(16-2)12(7-10(9)14)18-8-13(15)17-3/h6-7H,4-5,8,14H2,1-3H3
InChIKeyKDQVHDZZXULKAC-UHFFFAOYSA-N
XLogP1.78
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate?
The IUPAC name of methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate (CID 46871862) is methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate.
What is the SMILES notation for methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate?
The canonical SMILES for methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate is CCCc1cc(OC)c(OCC(=O)OC)cc1N.
What is the InChIKey of methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate?
The InChIKey is KDQVHDZZXULKAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO4/c1-4-5-9-6-11(16-2)12(7-10(9)14)18-8-13(15)17-3/h6-7H,4-5,8,14H2,1-3H3.
What are the key properties of methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate?
methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate has a molecular weight of 253.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(5-amino-2-methoxy-4-propylphenoxy)acetate is sourced from PubChem (CID 46871862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).