methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate

C15H23NO4 — CID 62336916

IUPACmethyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate
SMILESCCOc1cccc(OCCCC(C)(N)C(=O)OC)c1
InChIInChI=1S/C15H23NO4/c1-4-19-12-7-5-8-13(11-12)20-10-6-9-15(2,16)14(17)18-3/h5,7-8,11H,4,6,9-10,16H2,1-3H3
InChIKeyIJGIOKIAAFAQFW-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.13
Rot. Bonds8

About methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate

methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate (PubChem CID 62336916) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate
PubChem CID62336916
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate
SMILESCCOc1cccc(OCCCC(C)(N)C(=O)OC)c1
InChIInChI=1S/C15H23NO4/c1-4-19-12-7-5-8-13(11-12)20-10-6-9-15(2,16)14(17)18-3/h5,7-8,11H,4,6,9-10,16H2,1-3H3
InChIKeyIJGIOKIAAFAQFW-UHFFFAOYSA-N
XLogP2.13
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-amino-4-(3-ethoxyphenoxy)-2-methylbutanoate
CID 62337690
2-amino-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62336178
methyl 4-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylbutanoate
CID 62336363
5-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 62337288
N-[2-(3-ethoxyphenoxy)ethyl]-2,2-dimethylpropanamide
CID 113100569
1-ethoxy-3-[3-(3-methylphenoxy)propoxy]benzene
CID 2284499
2-(cyclopropylamino)-4-(3-ethoxyphenoxy)-2-methylbutanamide
CID 62337489
methyl 2-amino-6-[4-(2-hydroxyethyl)phenoxy]-2-methylhexanoate
CID 107709921
methyl 2-(3-ethoxyphenoxy)propanoate
CID 62338439
1-[2-(3-ethoxyphenoxy)ethoxy]-2-methylpropan-2-amine
CID 82354145
ethyl 3-(3-ethoxyphenoxy)-2-(ethylamino)-2-methylpropanoate
CID 62337488
ethyl 2-amino-2-methyl-5-(4-propylphenoxy)pentanoate
CID 62549258

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate?
The IUPAC name of methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate (CID 62336916) is methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate is CCOc1cccc(OCCCC(C)(N)C(=O)OC)c1.
What is the InChIKey of methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate?
The InChIKey is IJGIOKIAAFAQFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-4-19-12-7-5-8-13(11-12)20-10-6-9-15(2,16)14(17)18-3/h5,7-8,11H,4,6,9-10,16H2,1-3H3.
What are the key properties of methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate?
methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate has a molecular weight of 281.35 g/mol, XLogP of 2.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-(3-ethoxyphenoxy)-2-methylpentanoate is sourced from PubChem (CID 62336916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).