N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid
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Basic information
- CAS
125421-24-1- Standard SMILES
Nc1ccccc1NC(=S)N1CCCC1C(=O)O- InChIKey
TXKAGMAWBSVQQX-UHFFFAOYSA-N- Molecular formula
- C12H15N3O2S
- Average molar mass
- 265.33 g/mol
- Monoisotopic mass
- 265.0884979
Overview
structure given in first source; antinociceptive; RN given refers to (DL)-isomer; aminopeptidase M inhibitor
Names & identifiers
- Preferred name
- N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid
- IUPAC
- 1-[(2-aminophenyl)carbamothioyl]pyrrolidine-2-carboxylic acid
- English name
- N-(N'-(2'-nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acid
- Molecular weight
- 0
Names & synonyms
2-Amino-ptc-proo-Amino-ptc-proline125421-24-1N-(N'-(2'-Nitrophenyl)thiocarbamyl)pyrrolidine-2-carboxylic acidRefChem:162391DTXSID309251311-{[(2-Aminophenyl)imino](sulfanyl)methyl}prolineDL-Proline, 1-(((2-aminophenyl)amino)thioxomethyl)-
Database identifiers
- CAS
125421-24-1- PubChem CID
- 3035971
- DTXSID
DTXSID30925131
Properties
Computed structural propertiesFilling in
- XLogP
- 1.1
- Topological polar surface area
- 111 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 337
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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