Basic information
- CAS
70974-07-1- Standard SMILES
COC(=O)C(C)(C)NC(=O)Nc1ccc(Cl)cc1- InChIKey
RKNIVFCCJISWNA-UHFFFAOYSA-N- Molecular formula
- C12H15ClN2O3
- Average molar mass
- 270.71 g/mol
- Monoisotopic mass
- 270.07712002
Names & identifiers
- Preferred name
- Alanine, N-((p-chlorophenyl)carbamoyl)-2-methyl-, methyl ester
- IUPAC
- methyl 2-[(4-chlorophenyl)carbamoylamino]-2-methylpropanoate
Names & synonyms
70974-07-1Alanine, N-((p-chlorophenyl)carbamoyl)-2-methyl-, methyl esterRefChem:1076295N-((p-Chlorophenyl)carbamoyl)-2-methylalanine methyl esterBRN 2943628methyl 2-[(4-chlorophenyl)carbamoylamino]-2-methylpropanoateN-(p-Chlorphenylcarbamoyl)-2-methylalaninmethyl ester [German]Alanine, N-(((4-chlorophenyl)amino)carbonyl)-2-methyl-, methyl esterN-(p-Chlorphenylcarbamoyl)-2-methylalaninmethyl esterSCHEMBL11463830DTXSID90991276RKNIVFCCJISWNA-UHFFFAOYSA-N
Show more names
SMSSF-0052900AKOS002206272ST50129447SR-01000295431SR-01000295431-1F3072-0107methyl 2-[3-(p-chlorophenyl)ureido]-2-methylpropionatemethyl N-{[(4-chlorophenyl)amino]carbonyl}-2-methylalaninate
Database identifiers
- CAS
70974-07-1- PubChem CID
- 1252008
- DTXSID
DTXSID90991276
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 67.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 312
Related reactions
2 records
Compound notes
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