methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate

C11H13NO4 — CID 22080521

IUPACmethyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
SMILESCOC(=O)CNc1cccc(C(=O)OC)c1
InChIInChI=1S/C11H13NO4/c1-15-10(13)7-12-9-5-3-4-8(6-9)11(14)16-2/h3-6,12H,7H2,1-2H3
InChIKeyUFGFIFSTNBRNGM-UHFFFAOYSA-N
MW223.23 g/mol
LogP1.06
Rot. Bonds4

About methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate

methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate (PubChem CID 22080521) has the molecular formula C11H13NO4 and a molecular weight of 223.23 g/mol. Its IUPAC name is methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate.

Molecular Properties

Compound Namemethyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
PubChem CID22080521
Molecular FormulaC11H13NO4
Molecular Weight223.23 g/mol
Exact Mass223.08
IUPAC Namemethyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate
SMILESCOC(=O)CNc1cccc(C(=O)OC)c1
InChIInChI=1S/C11H13NO4/c1-15-10(13)7-12-9-5-3-4-8(6-9)11(14)16-2/h3-6,12H,7H2,1-2H3
InChIKeyUFGFIFSTNBRNGM-UHFFFAOYSA-N
XLogP1.06
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 66770331
methyl 3-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]benzoate
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methyl 2-(3-propan-2-ylanilino)acetate
CID 20824069
methyl 2-(3-iodoanilino)acetate
CID 19829858
methyl 3-(methylsulfonylmethylamino)benzoate
CID 68947045
methyl 3-[[2-(4-carbamoylanilino)-2-oxoethyl]amino]benzoate
CID 36587024
methyl 3-[(3-methoxy-2-methyl-3-oxopropyl)amino]benzoate
CID 82316702
methyl 3-[[2-(2,4-difluoroanilino)-2-oxoethyl]amino]benzoate
CID 36586894
methyl 3-[[2-(cyclopentylamino)-2-oxoethyl]amino]benzoate
CID 108993498
methyl 3-[[2-(2-ethyl-6-methylanilino)-2-oxoethyl]amino]benzoate
CID 109007805
methyl 2-(3-propan-2-yloxyanilino)acetate
CID 19829935
methyl 3-[[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]amino]benzoate
CID 36586938

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate?
The IUPAC name of methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate (CID 22080521) is methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate.
What is the SMILES notation for methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate?
The canonical SMILES for methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate is COC(=O)CNc1cccc(C(=O)OC)c1.
What is the InChIKey of methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate?
The InChIKey is UFGFIFSTNBRNGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO4/c1-15-10(13)7-12-9-5-3-4-8(6-9)11(14)16-2/h3-6,12H,7H2,1-2H3.
What are the key properties of methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate?
methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate has a molecular weight of 223.23 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(2-methoxy-2-oxoethyl)amino]benzoate is sourced from PubChem (CID 22080521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).