methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate

C13H14N2O5 — CID 110696837

IUPACmethyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2COCC(=O)N2)cc1
InChIInChI=1S/C13H14N2O5/c1-19-13(18)8-2-4-9(5-3-8)14-12(17)10-6-20-7-11(16)15-10/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyRCICCHVNNNTYPY-UHFFFAOYSA-N
MW278.26 g/mol
LogP-0.07
Rot. Bonds3

About methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate

methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate (PubChem CID 110696837) has the molecular formula C13H14N2O5 and a molecular weight of 278.26 g/mol. Its IUPAC name is methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate
PubChem CID110696837
Molecular FormulaC13H14N2O5
Molecular Weight278.26 g/mol
Exact Mass278.09
IUPAC Namemethyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)C2COCC(=O)N2)cc1
InChIInChI=1S/C13H14N2O5/c1-19-13(18)8-2-4-9(5-3-8)14-12(17)10-6-20-7-11(16)15-10/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,16)
InChIKeyRCICCHVNNNTYPY-UHFFFAOYSA-N
XLogP-0.07
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.26
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-5-oxomorpholine-3-carboxamide
CID 110696803
N-(2,5-dimethoxyphenyl)-5-oxomorpholine-3-carboxamide
CID 110696823
N-(2,6-diethylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696796
methyl 4-(piperidine-4-carbonylamino)benzoate
CID 61258374
methyl 4-(2,3-dihydro-1H-indole-2-carbonylamino)benzoate
CID 110861747
N-(3-cyanophenyl)-5-oxomorpholine-3-carboxamide
CID 110696889
methyl 4-[[(2R)-oxolane-2-carbonyl]amino]benzoate
CID 1086797
methyl 4-(2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carbonylamino)benzoate
CID 119262165
methyl 4-[[4-[(4-methylphenyl)carbamoyl]cyclohexanecarbonyl]amino]benzoate
CID 109150498
N-(4-chloro-2-methoxy-5-methylphenyl)-5-oxomorpholine-3-carboxamide
CID 110696884
methyl 4-[[(2S,3S)-3-phenylpyrrolidine-2-carbonyl]amino]benzoate
CID 118100771
methyl 4-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzoate
CID 7741315

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate?
The IUPAC name of methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate (CID 110696837) is methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate.
What is the SMILES notation for methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate?
The canonical SMILES for methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate is COC(=O)c1ccc(NC(=O)C2COCC(=O)N2)cc1.
What is the InChIKey of methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate?
The InChIKey is RCICCHVNNNTYPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O5/c1-19-13(18)8-2-4-9(5-3-8)14-12(17)10-6-20-7-11(16)15-10/h2-5,10H,6-7H2,1H3,(H,14,17)(H,15,16).
What are the key properties of methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate?
methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate has a molecular weight of 278.26 g/mol, XLogP of -0.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-oxomorpholine-3-carbonyl)amino]benzoate is sourced from PubChem (CID 110696837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).