Methyl 2-(2-methoxyacetamido)benzoate

HCID 836497CAS 134017-42-8
Substructure searchFind similar structures

Basic information

Standard SMILES
COCC(=O)Nc1ccccc1C(=O)OC
InChIKey
ZQSAWKDSWWJRGP-UHFFFAOYSA-N
Molecular formula
C11H13NO4
Average molar mass
223.22 g/mol
Monoisotopic mass
223.0844579

Names & identifiers

Preferred name
Methyl 2-(2-methoxyacetamido)benzoate
IUPAC
methyl 2-[(2-methoxyacetyl)amino]benzoate
English name
Benzoic acid, 2-[(Methoxyacetyl)aMino]-, Methyl ester
Molecular formula
C11H13NO4
Molecular weight
223.23

Names & synonyms

Methyl 2-(2-methoxyacetamido)benzoate134017-42-8methyl 2-[(2-methoxyacetyl)amino]benzoateBenzoic acid, 2-[(methoxyacetyl)amino]-, methyl esterSCHEMBL5928699methyl 2-methoxyacetamidobenzoateDTXSID30356901ZQSAWKDSWWJRGP-UHFFFAOYSA-NMethyl2-(2-methoxyacetamido)benzoateMethyl 2-(methoxyacetylamino)benzoateAKOS002940642methyl2-[(methoxyacetyl)amino]benzoate
Show more names
Benzoic acid, 2-[(2-methoxyacetyl)amino]-, methyl ester
CS-0361724AB00113341-01AN-652/41313301SR-01000239819SR-01000239819-1

Database identifiers

CAS
134017-42-8
PubChem CID
836497
DTXSID
DTXSID30356901

Properties

Computed structural properties

XLogP
1.5
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
5
Heavy atoms
16

Physicochemical properties

Melting point
72 · 72-73 °C(Solv: dichloromethane (75-09-2))
Boiling point
395.5 · 395.5±27.0 °C(Predicted)
Density
1.217 · 1.217±0.06 g/cm3(Predicted)
pka
13.03 · 13.03±0.70(Predicted)

Chemistry & industry

Upstream & downstream products

Suppliers3 total

上海睿升化工科技有限公司+86-021-50935922
上海百韧生物科技有限公司13564638271 · [email protected]
上海书亚医药科技有限公司400-685-9117 · [email protected]

Related reactions

3 records
New reaction record

Linked notes

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