methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate

C14H20N2O3 — CID 113332612

IUPACmethyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate
SMILESCCC1CN(c2cccc(C(=O)OC)c2N)CCO1
InChIInChI=1S/C14H20N2O3/c1-3-10-9-16(7-8-19-10)12-6-4-5-11(13(12)15)14(17)18-2/h4-6,10H,3,7-9,15H2,1-2H3
InChIKeyAQNIHNIKXXPSIE-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.67
Rot. Bonds3

About methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate

methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate (PubChem CID 113332612) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate
PubChem CID113332612
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate
SMILESCCC1CN(c2cccc(C(=O)OC)c2N)CCO1
InChIInChI=1S/C14H20N2O3/c1-3-10-9-16(7-8-19-10)12-6-4-5-11(13(12)15)14(17)18-2/h4-6,10H,3,7-9,15H2,1-2H3
InChIKeyAQNIHNIKXXPSIE-UHFFFAOYSA-N
XLogP1.67
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.67
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

methyl 3-amino-4-(2-ethylmorpholin-4-yl)benzoate
CID 61306954
2-(2-ethylmorpholin-4-yl)aniline
CID 43562435
ethyl 3-amino-2-(2-ethylmorpholin-4-yl)benzoate
CID 115934170
methyl 2-amino-3-[3-(dimethylamino)pyrrolidin-1-yl]benzoate
CID 113332952
methyl 2-amino-3-(4-ethylazepan-1-yl)benzoate
CID 115546284
methyl 5-amino-3-chloro-2-(2-ethylmorpholin-4-yl)benzoate
CID 107194128
methyl 2-amino-3-(4-phenylpiperazin-1-yl)benzoate
CID 170180022
methyl 2-amino-3-(4-methylpiperidin-1-yl)benzoate
CID 113332380
2-chloro-6-(2-ethylmorpholin-4-yl)benzoic acid
CID 43562848
methyl 2-amino-3-piperazin-1-ylbenzoate
CID 176889700
4-(2-amino-3-methoxycarbonylphenyl)piperazine-1-carboxylic acid
CID 176889718
methyl 5-[(2R)-2-ethylmorpholin-4-yl]-2-nitrobenzoate
CID 36722872

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate?
The IUPAC name of methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate (CID 113332612) is methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate.
What is the SMILES notation for methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate?
The canonical SMILES for methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate is CCC1CN(c2cccc(C(=O)OC)c2N)CCO1.
What is the InChIKey of methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate?
The InChIKey is AQNIHNIKXXPSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-10-9-16(7-8-19-10)12-6-4-5-11(13(12)15)14(17)18-2/h4-6,10H,3,7-9,15H2,1-2H3.
What are the key properties of methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate?
methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate has a molecular weight of 264.32 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-3-(2-ethylmorpholin-4-yl)benzoate is sourced from PubChem (CID 113332612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).