methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate

C16H24N2O3 — CID 104824362

IUPACmethyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
SMILESCCC1COC(C)CN1Cc1cccc(N)c1C(=O)OC
InChIInChI=1S/C16H24N2O3/c1-4-13-10-21-11(2)8-18(13)9-12-6-5-7-14(17)15(12)16(19)20-3/h5-7,11,13H,4,8-10,17H2,1-3H3
InChIKeyVQTJSGVUVZBHOQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.05
Rot. Bonds4

About methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate

methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate (PubChem CID 104824362) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
PubChem CID104824362
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Namemethyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate
SMILESCCC1COC(C)CN1Cc1cccc(N)c1C(=O)OC
InChIInChI=1S/C16H24N2O3/c1-4-13-10-21-11(2)8-18(13)9-12-6-5-7-14(17)15(12)16(19)20-3/h5-7,11,13H,4,8-10,17H2,1-3H3
InChIKeyVQTJSGVUVZBHOQ-UHFFFAOYSA-N
XLogP2.05
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate?
The IUPAC name of methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate (CID 104824362) is methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate.
What is the SMILES notation for methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate?
The canonical SMILES for methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate is CCC1COC(C)CN1Cc1cccc(N)c1C(=O)OC.
What is the InChIKey of methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate?
The InChIKey is VQTJSGVUVZBHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-4-13-10-21-11(2)8-18(13)9-12-6-5-7-14(17)15(12)16(19)20-3/h5-7,11,13H,4,8-10,17H2,1-3H3.
What are the key properties of methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate?
methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate has a molecular weight of 292.38 g/mol, XLogP of 2.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-6-[(5-ethyl-2-methylmorpholin-4-yl)methyl]benzoate is sourced from PubChem (CID 104824362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).