ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate

C16H24N2O3 — CID 115545734

IUPACethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate
SMILESCCOC(=O)c1cccc(N2CC(C)OC(C)(C)C2)c1N
InChIInChI=1S/C16H24N2O3/c1-5-20-15(19)12-7-6-8-13(14(12)17)18-9-11(2)21-16(3,4)10-18/h6-8,11H,5,9-10,17H2,1-4H3
InChIKeyUTWCZOMBYCBBPE-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.45
Rot. Bonds3

About ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate

ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate (PubChem CID 115545734) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate.

Molecular Properties

Compound Nameethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate
PubChem CID115545734
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate
SMILESCCOC(=O)c1cccc(N2CC(C)OC(C)(C)C2)c1N
InChIInChI=1S/C16H24N2O3/c1-5-20-15(19)12-7-6-8-13(14(12)17)18-9-11(2)21-16(3,4)10-18/h6-8,11H,5,9-10,17H2,1-4H3
InChIKeyUTWCZOMBYCBBPE-UHFFFAOYSA-N
XLogP2.45
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

ethyl 2-amino-3-(2,6-dimethylthiomorpholin-4-yl)benzoate
CID 115546254
ethyl 2-amino-3-(3,4,5-trimethylpiperazin-1-yl)benzoate
CID 114539655
ethyl 2-amino-3-(azocan-1-yl)benzoate
CID 115544638
ethyl 2-amino-3-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]benzoate
CID 115546701
ethyl 2-amino-3-(2-methylpyrrolidin-1-yl)benzoate
CID 115544087
5-methyl-2-(2,2,6-trimethylmorpholin-4-yl)benzoic acid
CID 55082932
ethyl 2-amino-3-(5-oxo-1,4-diazepan-1-yl)benzoate
CID 115546025
ethyl 2-amino-3-(3-methylthiomorpholin-4-yl)benzoate
CID 113333028
ethyl 2-amino-3-(2-ethylazepan-1-yl)benzoate
CID 104691272
ethyl 2-amino-3-(2-methyl-3-oxopiperazin-1-yl)benzoate
CID 115546129
ethyl 2-amino-5-(2,6-dimethylmorpholin-4-yl)benzoate
CID 61312863
[4-(2-amino-3-propoxyphenyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776233

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate?
The IUPAC name of ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate (CID 115545734) is ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate.
What is the SMILES notation for ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate?
The canonical SMILES for ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate is CCOC(=O)c1cccc(N2CC(C)OC(C)(C)C2)c1N.
What is the InChIKey of ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate?
The InChIKey is UTWCZOMBYCBBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-20-15(19)12-7-6-8-13(14(12)17)18-9-11(2)21-16(3,4)10-18/h6-8,11H,5,9-10,17H2,1-4H3.
What are the key properties of ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate?
ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate has a molecular weight of 292.38 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-3-(2,2,6-trimethylmorpholin-4-yl)benzoate is sourced from PubChem (CID 115545734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).