Basic information
- CAS
303032-45-3- Standard SMILES
COC(=O)c1ccc(C(=O)OC)c(NC(=O)C(C)(C)C)c1- InChIKey
MJMKMCLOGIAYPG-UHFFFAOYSA-N- Molecular formula
- C15H19NO5
- Average molar mass
- 293.31 g/mol
- Monoisotopic mass
- 293.12632271
Names & identifiers
- Preferred name
- Dimethyl 2-[(2,2-dimethylpropanoyl)amino]terephthalate
- IUPAC
- dimethyl 2-(2,2-dimethylpropanoylamino)benzene-1,4-dicarboxylate
Names & synonyms
303032-45-3dimethyl 2-pivalamidoterephthalatedimethyl 2-[(2,2-dimethylpropanoyl)amino]terephthalateMLS000684015dimethyl 2-(2,2-dimethylpropanoylamino)benzene-1,4-dicarboxylateF3095-3684SMR000291648methyl 3-(2,2-dimethylpropanoylamino)-4-(methoxycarbonyl)benzoateCBMicro_031351MixCom6_001655Oprea1_233248cid_720162
Show more names
CHEMBL1531952BDBM43136DTXSID201329697HMS2709K22SMSSF-0053428AKOS001023550ST030302BIM-0031270.P001
Database identifiers
- CAS
303032-45-3- PubChem CID
- 720162
- DTXSID
DTXSID201329697- ChEMBL
CHEMBL1531952
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 413
Experimental & physicochemical properties
Solubility3.9 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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