ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate

C14H21NO3 — CID 5239443

IUPACethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(C)(N)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H21NO3/c1-6-18-13(16)14(4,15)11-8-9(2)7-10(3)12(11)17-5/h7-8H,6,15H2,1-5H3
InChIKeyRYSBBOLFQOHIJI-UHFFFAOYSA-N
MW251.33 g/mol
LogP2.05
Rot. Bonds4

About ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate

ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate (PubChem CID 5239443) has the molecular formula C14H21NO3 and a molecular weight of 251.33 g/mol. Its IUPAC name is ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate.

Molecular Properties

Compound Nameethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate
PubChem CID5239443
Molecular FormulaC14H21NO3
Molecular Weight251.33 g/mol
Exact Mass251.15
IUPAC Nameethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate
SMILESCCOC(=O)C(C)(N)c1cc(C)cc(C)c1OC
InChIInChI=1S/C14H21NO3/c1-6-18-13(16)14(4,15)11-8-9(2)7-10(3)12(11)17-5/h7-8H,6,15H2,1-5H3
InChIKeyRYSBBOLFQOHIJI-UHFFFAOYSA-N
XLogP2.05
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-methoxy-3,5-dimethylphenyl)-2-methylpropanoic acid
CID 82286933
ethyl 2-(2-methoxy-3-methylphenyl)-2-methylpropanoate
CID 105497849
1-(2,2-dimethylpropyl)-2-methoxy-3,5-dimethylbenzene;ethyl propanoate
CID 144875458
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
ethyl 2-(4-methoxy-2,6-dimethylphenoxy)-2-methylpropanoate
CID 155631420
ethyl 2-amino-2-naphthalen-1-ylpropanoate
CID 60796061
ethyl 2-(2-methoxy-4,6-dimethylanilino)-2-methylpropanoate
CID 115128687
ethyl 2-chloro-2-(2-methoxy-3,5-dimethylphenyl)acetate
CID 116863130
ethyl 2-(2-methoxy-3,4-dimethylphenyl)-2-methylpropanoate
CID 103434200
2-(2-methoxy-3,5-dimethylphenyl)acetamide
CID 82491159
methyl 3-amino-3-(2-methoxy-3,5-dimethylphenyl)-2,2-dimethylpropanoate
CID 116940300
ethyl 2-(propan-2-ylamino)-2-(2,4,6-trimethylphenyl)propanoate
CID 60787163

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate?
The IUPAC name of ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate (CID 5239443) is ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate.
What is the SMILES notation for ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate?
The canonical SMILES for ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate is CCOC(=O)C(C)(N)c1cc(C)cc(C)c1OC.
What is the InChIKey of ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate?
The InChIKey is RYSBBOLFQOHIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO3/c1-6-18-13(16)14(4,15)11-8-9(2)7-10(3)12(11)17-5/h7-8H,6,15H2,1-5H3.
What are the key properties of ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate?
ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate has a molecular weight of 251.33 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-2-(2-methoxy-3,5-dimethylphenyl)propanoate is sourced from PubChem (CID 5239443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).