methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate

C17H27NO3 — CID 64708339

IUPACmethyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H27NO3/c1-12(11-17(5,18)15(19)20-6)21-14-9-7-8-13(10-14)16(2,3)4/h7-10,12H,11,18H2,1-6H3
InChIKeyZBUXADQDGTVHOZ-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.03
Rot. Bonds5

About methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate

methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate (PubChem CID 64708339) has the molecular formula C17H27NO3 and a molecular weight of 293.41 g/mol. Its IUPAC name is methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
PubChem CID64708339
Molecular FormulaC17H27NO3
Molecular Weight293.41 g/mol
Exact Mass293.20
IUPAC Namemethyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)Oc1cccc(C(C)(C)C)c1
InChIInChI=1S/C17H27NO3/c1-12(11-17(5,18)15(19)20-6)21-14-9-7-8-13(10-14)16(2,3)4/h7-10,12H,11,18H2,1-6H3
InChIKeyZBUXADQDGTVHOZ-UHFFFAOYSA-N
XLogP3.03
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate
CID 64706651
methyl 2-amino-2-methyl-4-(4-methylsulfonylphenoxy)pentanoate
CID 64719798
methyl 2-amino-4-(2,3-difluorophenoxy)-2-methylpentanoate
CID 64721367
methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
CID 64706465
3-(3-tert-butylphenoxy)butan-1-amine
CID 70646087
4-(3-tert-butylphenoxy)-N-ethylpentan-2-amine
CID 64706884
N-tert-butyl-3-(3-tert-butylphenoxy)butan-1-amine
CID 126671936
N-[(2R)-2-(3-tert-butylphenoxy)propyl]-2,2-dimethylpropan-1-amine
CID 139475190
2-amino-4-(3-methoxyphenoxy)-2-methylpentan-1-ol
CID 64805220
4-(3-tert-butylphenoxy)-N-propylpentan-1-amine
CID 63496113

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate?
The IUPAC name of methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate (CID 64708339) is methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate is COC(=O)C(C)(N)CC(C)Oc1cccc(C(C)(C)C)c1.
What is the InChIKey of methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate?
The InChIKey is ZBUXADQDGTVHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO3/c1-12(11-17(5,18)15(19)20-6)21-14-9-7-8-13(10-14)16(2,3)4/h7-10,12H,11,18H2,1-6H3.
What are the key properties of methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate?
methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate has a molecular weight of 293.41 g/mol, XLogP of 3.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate is sourced from PubChem (CID 64708339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).