ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate

C15H23NO4 — CID 64706659

IUPACethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H23NO4/c1-5-19-14(17)15(3,16)10-11(2)20-13-8-6-12(18-4)7-9-13/h6-9,11H,5,10,16H2,1-4H3
InChIKeyQTVDYRXATOOQOA-UHFFFAOYSA-N
MW281.35 g/mol
LogP2.13
Rot. Bonds7

About ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate

ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate (PubChem CID 64706659) has the molecular formula C15H23NO4 and a molecular weight of 281.35 g/mol. Its IUPAC name is ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate.

Molecular Properties

Compound Nameethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
PubChem CID64706659
Molecular FormulaC15H23NO4
Molecular Weight281.35 g/mol
Exact Mass281.16
IUPAC Nameethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate
SMILESCCOC(=O)C(C)(N)CC(C)Oc1ccc(OC)cc1
InChIInChI=1S/C15H23NO4/c1-5-19-14(17)15(3,16)10-11(2)20-13-8-6-12(18-4)7-9-13/h6-9,11H,5,10,16H2,1-4H3
InChIKeyQTVDYRXATOOQOA-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-(3,4-difluorophenoxy)-2-methylpentanoate
CID 64721123
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
2-amino-4-(4-methoxyphenoxy)-2-methylpentan-1-ol
CID 64802307
ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate
CID 64707450
methyl 2-amino-2-methyl-4-(4-methylsulfonylphenoxy)pentanoate
CID 64719798
ethyl (2S)-2-(4-methoxyphenoxy)propanoate
CID 94606551
4-(4-methoxyphenoxy)-2-methyl-2-(methylamino)pentanamide
CID 64705841
ethyl 2-amino-4-butoxy-2-methylpentanoate
CID 64708941
methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
CID 64708339
diethyl 2-methylpropanedioate;1,4-dimethoxybenzene
CID 174542706
methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate
CID 64706651

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate?
The IUPAC name of ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate (CID 64706659) is ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate.
What is the SMILES notation for ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate?
The canonical SMILES for ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate is CCOC(=O)C(C)(N)CC(C)Oc1ccc(OC)cc1.
What is the InChIKey of ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate?
The InChIKey is QTVDYRXATOOQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO4/c1-5-19-14(17)15(3,16)10-11(2)20-13-8-6-12(18-4)7-9-13/h6-9,11H,5,10,16H2,1-4H3.
What are the key properties of ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate?
ethyl 2-amino-4-(4-methoxyphenoxy)-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 ethyl 2-amino-4-(4-methoxyphenoxy)-2-methylpentanoate is sourced from PubChem (CID 64706659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).