(2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate

C13H15ClN2O4 — CID 2097201

IUPAC(2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate
SMILESNc1cc(C(=O)OCC(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C13H15ClN2O4/c14-10-2-1-9(7-11(10)15)13(18)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8,15H2
InChIKeyKBMUYGMLYLMKGS-UHFFFAOYSA-N
MW298.73 g/mol
LogP0.94
Rot. Bonds3

About (2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate

(2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate (PubChem CID 2097201) has the molecular formula C13H15ClN2O4 and a molecular weight of 298.73 g/mol. Its IUPAC name is (2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate.

Molecular Properties

Compound Name(2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate
PubChem CID2097201
Molecular FormulaC13H15ClN2O4
Molecular Weight298.73 g/mol
Exact Mass298.07
IUPAC Name(2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate
SMILESNc1cc(C(=O)OCC(=O)N2CCOCC2)ccc1Cl
InChIInChI=1S/C13H15ClN2O4/c14-10-2-1-9(7-11(10)15)13(18)20-8-12(17)16-3-5-19-6-4-16/h1-2,7H,3-6,8,15H2
InChIKeyKBMUYGMLYLMKGS-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-[2-(Cyclohexen-1-yl)ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2390717
Clormecaine
CID 56732
2-[(2-Chlorophenyl)amino]-2-oxoethyl 3-(dimethylamino)benzoate
CID 2350074
[2-(4-Morpholin-4-ylanilino)-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 2489658
[2-Oxo-2-(oxolan-2-ylmethylamino)ethyl] 3-amino-4-chlorobenzoate
CID 2999002
[2-Oxo-2-(1,3,3-trimethyl-6-azabicyclo[3.2.1]octan-6-yl)ethyl] 3-amino-4-chlorobenzoate
CID 3467731
[2-[(1,1-Dioxothiolan-3-yl)-ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 3562938
[2-(2,6-Dimethylmorpholin-4-yl)-2-oxoethyl] 2-chloro-5-nitrobenzoate
CID 4126138
[2-[Benzyl(methyl)amino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 4141016
[2-[2-[[2-(3-Amino-4-chlorobenzoyl)oxyacetyl]amino]ethylamino]-2-oxoethyl] 3-amino-4-chlorobenzoate
CID 16281985
[1-(4-Benzylpiperazin-1-yl)-1-oxopropan-2-yl] 4-chloro-3-nitrobenzoate
CID 16309139
(2-Morpholin-4-yl-2-oxoethyl) 2-amino-4-chlorobenzoate
CID 2086267

Frequently Asked Questions

What is the IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate?
The IUPAC name of (2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate (CID 2097201) is (2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate.
What is the SMILES notation for (2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate?
The canonical SMILES for (2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate is Nc1cc(C(=O)OCC(=O)N2CCOCC2)ccc1Cl.
What is the InChIKey of (2-morpholin-4-yl-2-oxoethyl) 3-amino-4-chlorobenzoate?
The InChIKey is KBMUYGMLYLMKGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O4/c14-10-2-1-9(7-11(10)15)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) 3-amino-4-chlorobenzoate?
(2-morpholin-4-yl-2-oxoethyl) 3-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) 3-amino-4-chlorobenzoate is sourced from PubChem (CID 2097201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).