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

C14H21NO4 — CID 64706651

IUPACmethyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)Oc1ccccc1OC
InChIInChI=1S/C14H21NO4/c1-10(9-14(2,15)13(16)18-4)19-12-8-6-5-7-11(12)17-3/h5-8,10H,9,15H2,1-4H3
InChIKeyDXGVBCOKUXKMDP-UHFFFAOYSA-N
MW267.32 g/mol
LogP1.74
Rot. Bonds6

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

methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate (PubChem CID 64706651) has the molecular formula C14H21NO4 and a molecular weight of 267.32 g/mol. Its IUPAC name is methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate
PubChem CID64706651
Molecular FormulaC14H21NO4
Molecular Weight267.32 g/mol
Exact Mass267.15
IUPAC Namemethyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate
SMILESCOC(=O)C(C)(N)CC(C)Oc1ccccc1OC
InChIInChI=1S/C14H21NO4/c1-10(9-14(2,15)13(16)18-4)19-12-8-6-5-7-11(12)17-3/h5-8,10H,9,15H2,1-4H3
InChIKeyDXGVBCOKUXKMDP-UHFFFAOYSA-N
XLogP1.74
TPSA70.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-amino-2-methyl-4-(2-propan-2-ylphenoxy)pentanoate
CID 64706465
methyl 2-amino-4-(2,3-difluorophenoxy)-2-methylpentanoate
CID 64721367
methyl 2-amino-2-methyl-4-(3-methylphenoxy)pentanoate
CID 64708498
methyl 2-amino-4-(3-tert-butylphenoxy)-2-methylpentanoate
CID 64708339
methyl 2-amino-4-(4-ethoxyphenoxy)-2-methylpentanoate
CID 64708683
methyl 2-amino-2-methyl-4-(4-methylsulfonylphenoxy)pentanoate
CID 64719798
ethyl 2-amino-4-(2,3-dimethylphenoxy)-2-methylpentanoate
CID 64707450
(2S)-2-amino-N-[2-(2-methoxyphenoxy)propyl]-4-methylpentanamide;hydrochloride
CID 119804840
3-amino-N-[2-(2-methoxyphenoxy)propyl]-2-methylbutanamide;hydrochloride
CID 120501660
2-amino-2-methyl-4-quinolin-8-yloxypentanamide
CID 64706156
N-[2-(2-methoxyphenoxy)propyl]-2-methylbutan-2-amine
CID 54852974
2-(2-methoxyphenoxy)propanediamide
CID 141374982

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate?
The IUPAC name of methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate (CID 64706651) is methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate.
What is the SMILES notation for methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate?
The canonical SMILES for methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate is COC(=O)C(C)(N)CC(C)Oc1ccccc1OC.
What is the InChIKey of methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate?
The InChIKey is DXGVBCOKUXKMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4/c1-10(9-14(2,15)13(16)18-4)19-12-8-6-5-7-11(12)17-3/h5-8,10H,9,15H2,1-4H3.
What are the key properties of methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate?
methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate has a molecular weight of 267.32 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-4-(2-methoxyphenoxy)-2-methylpentanoate is sourced from PubChem (CID 64706651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).