methyl 2-(2-oxopropanoylamino)benzoate

C11H11NO4 — CID 82127719

IUPACmethyl 2-(2-oxopropanoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)=O
InChIInChI=1S/C11H11NO4/c1-7(13)10(14)12-9-6-4-3-5-8(9)11(15)16-2/h3-6H,1-2H3,(H,12,14)
InChIKeyGKIXQARZQVNONU-UHFFFAOYSA-N
MW221.21 g/mol
LogP1.00
Rot. Bonds3

About methyl 2-(2-oxopropanoylamino)benzoate

methyl 2-(2-oxopropanoylamino)benzoate (PubChem CID 82127719) has the molecular formula C11H11NO4 and a molecular weight of 221.21 g/mol. Its IUPAC name is methyl 2-(2-oxopropanoylamino)benzoate.

Molecular Properties

Compound Namemethyl 2-(2-oxopropanoylamino)benzoate
PubChem CID82127719
Molecular FormulaC11H11NO4
Molecular Weight221.21 g/mol
Exact Mass221.07
IUPAC Namemethyl 2-(2-oxopropanoylamino)benzoate
SMILESCOC(=O)c1ccccc1NC(=O)C(C)=O
InChIInChI=1S/C11H11NO4/c1-7(13)10(14)12-9-6-4-3-5-8(9)11(15)16-2/h3-6H,1-2H3,(H,12,14)
InChIKeyGKIXQARZQVNONU-UHFFFAOYSA-N
XLogP1.00
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.21
LogP ≤ 51.00
H-Bond Donors ≤ 51
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-methylprop-2-enoylamino)benzoate
CID 23293368
methyl 2-(hydroxyamino)-3-(2-oxopropanoylamino)benzoate
CID 167038741
methyl 2-[[(E)-2-methylpent-2-enoyl]amino]benzoate
CID 43623371
methyl 2-[[2-(ethylamino)-2-oxoacetyl]amino]benzoate
CID 108512394
methyl 2-[[2-(2-ethoxycarbonylanilino)-2-oxoacetyl]amino]benzoate
CID 108501747
methyl 2-[(2-methyl-3-phenylprop-2-enoyl)amino]benzoate
CID 890488
methyl 2-[[2-(N-methylanilino)-2-oxoacetyl]amino]benzoate
CID 108512391
methyl 2-[[2-(2-hydroxyethylamino)-2-oxoacetyl]amino]benzoate
CID 108512450
methyl 2-[[2-(3-methylbutylamino)-2-oxoacetyl]amino]benzoate
CID 108512526
methyl 2-(2,2-dimethylpropanoylamino)benzoate
CID 546733
di(113C)methyl benzene-1,2-dicarboxylate
CID 131668060
methyl 2-(methylamino)benzoate;hydrochloride
CID 141440626

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-oxopropanoylamino)benzoate?
The IUPAC name of methyl 2-(2-oxopropanoylamino)benzoate (CID 82127719) is methyl 2-(2-oxopropanoylamino)benzoate.
What is the SMILES notation for methyl 2-(2-oxopropanoylamino)benzoate?
The canonical SMILES for methyl 2-(2-oxopropanoylamino)benzoate is COC(=O)c1ccccc1NC(=O)C(C)=O.
What is the InChIKey of methyl 2-(2-oxopropanoylamino)benzoate?
The InChIKey is GKIXQARZQVNONU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO4/c1-7(13)10(14)12-9-6-4-3-5-8(9)11(15)16-2/h3-6H,1-2H3,(H,12,14).
What are the key properties of methyl 2-(2-oxopropanoylamino)benzoate?
methyl 2-(2-oxopropanoylamino)benzoate has a molecular weight of 221.21 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-oxopropanoylamino)benzoate is sourced from PubChem (CID 82127719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).