methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate

C12H14N2O4 — CID 108512394

IUPACmethyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
SMILESCCNC(=O)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C12H14N2O4/c1-3-13-10(15)11(16)14-9-7-5-4-6-8(9)12(17)18-2/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyRIZMEBRUKGAIOA-UHFFFAOYSA-N
MW250.25 g/mol
LogP0.55
Rot. Bonds3

About methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate

methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate (PubChem CID 108512394) has the molecular formula C12H14N2O4 and a molecular weight of 250.25 g/mol. Its IUPAC name is methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
PubChem CID108512394
Molecular FormulaC12H14N2O4
Molecular Weight250.25 g/mol
Exact Mass250.10
IUPAC Namemethyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
SMILESCCNC(=O)C(=O)Nc1ccccc1C(=O)OC
InChIInChI=1S/C12H14N2O4/c1-3-13-10(15)11(16)14-9-7-5-4-6-8(9)12(17)18-2/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16)
InChIKeyRIZMEBRUKGAIOA-UHFFFAOYSA-N
XLogP0.55
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
CID 108512450
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[[2-(2-hydroxypropylamino)-2-oxoacetyl]amino]benzoate
CID 108512393
methyl 2-[[2-oxo-2-(prop-2-enylamino)acetyl]amino]benzoate
CID 3607334
methyl 2-[[2-(3-methylbutylamino)-2-oxoacetyl]amino]benzoate
CID 108512526
methyl 2-(2-oxopropanoylamino)benzoate
CID 82127719
methyl 2-[[2-[(4-chlorophenyl)methylamino]-2-oxoacetyl]amino]benzoate
CID 108507696
methyl 2-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43623371
methyl 2-(2-methylprop-2-enoylamino)benzoate
CID 23293368
methyl 2-[[2-[2-(4-chlorophenyl)ethylamino]-2-oxoacetyl]amino]benzoate
CID 108985817
methyl 2-[[2-(dipropylamino)-2-oxoacetyl]amino]benzoate
CID 108512458
methyl 2-[[2-(4-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108500027

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate?
The IUPAC name of methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate (CID 108512394) is methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate?
The canonical SMILES for methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate is CCNC(=O)C(=O)Nc1ccccc1C(=O)OC.
What is the InChIKey of methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate?
The InChIKey is RIZMEBRUKGAIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O4/c1-3-13-10(15)11(16)14-9-7-5-4-6-8(9)12(17)18-2/h4-7H,3H2,1-2H3,(H,13,15)(H,14,16).
What are the key properties of methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate?
methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate has a molecular weight of 250.25 g/mol, XLogP of 0.55, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate is sourced from PubChem (CID 108512394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).