methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate

C15H23NO4 — CID 64708683

IUPACmethyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
SMILESCCOc1ccc(OC(C)CC(C)(N)C(=O)OC)cc1
InChIInChI=1S/C15H23NO4/c1-5-19-12-6-8-13(9-7-12)20-11(2)10-15(3,16)14(17)18-4/h6-9,11H,5,10,16H2,1-4H3
InChIKeyKPCMIHOVOSTQRG-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.13
Rot. Bonds7

About methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate

methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate (PubChem CID 64708683) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
PubChem CID64708683
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Namemethyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
SMILESCCOc1ccc(OC(C)CC(C)(N)C(=O)OC)cc1
InChIInChI=1S/C15H23NO4/c1-5-19-12-6-8-13(9-7-12)20-11(2)10-15(3,16)14(17)18-4/h6-9,11H,5,10,16H2,1-4H3
InChIKeyKPCMIHOVOSTQRG-UHFFFAOYSA-N
XLogP2.13
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
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

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Related Compounds

ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
CID 64706659
methyl 2-amino-2-methyl-4-(4-methylsulfonylphenoxy)pentanoate
CID 64719798
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
4-(4-ethoxyphenoxy)-2-(ethylamino)-2-methylpentanamide
CID 64705782
methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
CID 64708339
methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
CID 64706465
1-amino-4-(4-ethoxyphenoxy)-2-methylpentan-2-ol
CID 64815245
methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate
CID 64706651
methyl 3-(4-ethoxyphenoxy)butanoate
CID 43535934
ethyl 2-amino-4-(3,4-difluorophenoxy)-2-methylpentanoate
CID 64721123
methyl 2-amino-4-(2,3-difluorophenoxy)-2-methylpentanoate
CID 64721367
methyl 2-(4-ethoxyphenyl)-3-hydroxy-2-methylpropanoate
CID 21348092

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate?
The IUPAC name of methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate (CID 64708683) is methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate is CCOc1ccc(OC(C)CC(C)(N)C(=O)OC)cc1.
What is the InChIKey of methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate?
The InChIKey is KPCMIHOVOSTQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-19-12-6-8-13(9-7-12)20-11(2)10-15(3,16)14(17)18-4/h6-9,11H,5,10,16H2,1-4H3.
What are the key properties of methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate?
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate has a molecular weight of 281.35 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate is sourced from PubChem (CID 64708683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).