methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate

C14H20N2O3 — CID 61305378

IUPACmethyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate
SMILESCCC1COCCN1c1ccc(N)cc1C(=O)OC
InChIInChI=1S/C14H20N2O3/c1-3-11-9-19-7-6-16(11)13-5-4-10(15)8-12(13)14(17)18-2/h4-5,8,11H,3,6-7,9,15H2,1-2H3
InChIKeyAVWYDORBKNMBFW-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.67
Rot. Bonds3

About methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate

methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate (PubChem CID 61305378) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate
PubChem CID61305378
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Namemethyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate
SMILESCCC1COCCN1c1ccc(N)cc1C(=O)OC
InChIInChI=1S/C14H20N2O3/c1-3-11-9-19-7-6-16(11)13-5-4-10(15)8-12(13)14(17)18-2/h4-5,8,11H,3,6-7,9,15H2,1-2H3
InChIKeyAVWYDORBKNMBFW-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 5-amino-2-(3-carbamoylmorpholin-4-yl)benzoate
CID 83095654
methyl 5-amino-2-(3-ethylmorpholin-4-yl)pyridine-3-carboxylate
CID 114047041
3-(difluoromethyl)-4-(3-ethylmorpholin-4-yl)aniline
CID 63735289
1-[2-[(3R)-3-ethylmorpholin-4-yl]phenyl]ethanone
CID 5325728
methyl 5-amino-2-(3-ethyl-4-methylpiperazin-1-yl)benzoate
CID 63604074
1-[2-(3-ethylmorpholin-4-yl)-5-fluorophenyl]ethanone
CID 43613288
3-amino-4-(3-ethylmorpholin-4-yl)-N-methylbenzamide
CID 82989331
methyl 5-amino-2-[2-(3-hydroxypropyl)pyrrolidin-1-yl]benzoate
CID 62479452
(5-amino-2-chlorophenyl)-(3-ethylmorpholin-4-yl)methanone
CID 43611591
2-amino-4-bromo-5-(3-ethylmorpholin-4-yl)benzamide
CID 114278280
3-[3-amino-4-(3-ethylmorpholin-4-yl)phenyl]-4-methoxybutanoic acid
CID 122586032
5-amino-2-(2-ethylpiperidin-1-yl)benzoic acid
CID 54888136

Frequently Asked Questions

What is the IUPAC name of methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate?
The IUPAC name of methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate (CID 61305378) is methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate.
What is the SMILES notation for methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate?
The canonical SMILES for methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate is CCC1COCCN1c1ccc(N)cc1C(=O)OC.
What is the InChIKey of methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate?
The InChIKey is AVWYDORBKNMBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-3-11-9-19-7-6-16(11)13-5-4-10(15)8-12(13)14(17)18-2/h4-5,8,11H,3,6-7,9,15H2,1-2H3.
What are the key properties of methyl 5-amino-2-(3-ethylmorpholin-4-yl)benzoate?
methyl 5-amino-2-(3-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 5-amino-2-(3-ethylmorpholin-4-yl)benzoate is sourced from PubChem (CID 61305378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).