2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate

C14H20N2O4 — CID 61321668

IUPAC2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCN2CCOCC2)cc1N
InChIInChI=1S/C14H20N2O4/c1-18-13-3-2-11(10-12(13)15)14(17)20-9-6-16-4-7-19-8-5-16/h2-3,10H,4-9,15H2,1H3
InChIKeyGGYKGFRFONZPGT-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.77
Rot. Bonds5

About 2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate

2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate (PubChem CID 61321668) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is 2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate.

Molecular Properties

Compound Name2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
PubChem CID61321668
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate
SMILESCOc1ccc(C(=O)OCCN2CCOCC2)cc1N
InChIInChI=1S/C14H20N2O4/c1-18-13-3-2-11(10-12(13)15)14(17)20-9-6-16-4-7-19-8-5-16/h2-3,10H,4-9,15H2,1H3
InChIKeyGGYKGFRFONZPGT-UHFFFAOYSA-N
XLogP0.77
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

hydron;2-morpholin-4-ylethyl 3,4-dimethoxybenzoate;chloride
CID 660605
2-morpholin-4-ylethyl 4-methoxybenzoate
CID 739087
2-morpholin-4-ylethyl 4-methoxybenzoate;hydrochloride
CID 2836400
1-[3-amino-4-(2-morpholin-4-ylethoxy)phenyl]ethanone
CID 82064195
2-morpholin-4-ylethyl 3,5-dimethoxybenzoate
CID 50896866
methyl 4-methoxy-3-(3-morpholin-4-ylpropoxy)benzoate
CID 22466648
2-morpholin-4-ylethyl 5-amino-2,4-dimethylbenzoate
CID 102706152
1-(3-amino-4-methoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82064923
3-fluoropropyl 3-amino-4-methoxybenzoate
CID 81113544
2-(4-methylpiperazin-1-yl)ethyl 3-amino-4-methylbenzoate
CID 82891746
1-(3-amino-4-methoxyphenyl)-3-piperazin-1-ylpropan-1-one
CID 82064899
2-morpholin-4-ylethyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaene-6-carboxylate
CID 54469991

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate?
The IUPAC name of 2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate (CID 61321668) is 2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate.
What is the SMILES notation for 2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate?
The canonical SMILES for 2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate is COc1ccc(C(=O)OCCN2CCOCC2)cc1N.
What is the InChIKey of 2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate?
The InChIKey is GGYKGFRFONZPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-18-13-3-2-11(10-12(13)15)14(17)20-9-6-16-4-7-19-8-5-16/h2-3,10H,4-9,15H2,1H3.
What are the key properties of 2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate?
2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate has a molecular weight of 280.32 g/mol, XLogP of 0.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-ylethyl 3-amino-4-methoxybenzoate is sourced from PubChem (CID 61321668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).