(2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate

C13H15ClN2O4 — CID 2086267

IUPAC(2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C13H15ClN2O4/c14-9-1-2-10(11(15)7-9)13(18)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8,15H2
InChIKeyUXOHMHVCCQTEJU-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.94
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate

(2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate (PubChem CID 2086267) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate
PubChem CID2086267
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate
SMILESNc1cc(Cl)ccc1C(=O)OCC(=O)N1CCOCC1
InChIInChI=1S/C13H15ClN2O4/c14-9-1-2-10(11(15)7-9)13(18)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8,15H2
InChIKeyUXOHMHVCCQTEJU-UHFFFAOYSA-N
XLogP0.94
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 50.94
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

(2-Morpholin-4-yl-2-oxoethyl) 4-chloro-2-nitrobenzoate
CID 2096562
(2-Morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate
CID 2097201
[2-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2390717
[2-[Di(propan-2-yl)amino]-2-oxoethyl] 2-amino-3,5-dichlorobenzoate
CID 2390725
[2-(Benzylcarbamoylamino)-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2410001
[2-[(1,1-Dioxothiolan-3-yl)-methylamino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 3347965
[2-[Benzyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 4141016
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 5-chloro-2-nitrobenzoate
CID 4568191
(2-Morpholin-4-yl-2-oxoethyl) 2-amino-3,5-dichlorobenzoate
CID 2095375
[2-[Cyclohexyl(methyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2371624
(2-Oxo-2-pyrrolidin-1-ylethyl) 2-amino-4-chlorobenzoate
CID 2371657
[2-[Cyclohexyl(ethyl)amino]-2-oxoethyl] 2-amino-4-chlorobenzoate
CID 2371659

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate (CID 2086267) is (2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate is Nc1cc(Cl)ccc1C(=O)OCC(=O)N1CCOCC1.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate?
The InChIKey is UXOHMHVCCQTEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-9-1-2-10(11(15)7-9)13(18)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8,15H2.
What are the key properties of (2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate?
(2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate has a molecular weight of 298.73 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate is sourced from PubChem (CID 2086267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).