1-Nitrosoproline
Basic information
- CAS
2571-28-0- Standard SMILES
O=NN1CCCC1C(=O)O- InChIKey
WLKPHJWEIIAIFW-UHFFFAOYSA-N- Molecular formula
- C5H8N2O3
- Average molar mass
- 144.13 g/mol
- Monoisotopic mass
- 144.05349212
Names & identifiers
- Preferred name
- 1-Nitrosoproline
- IUPAC
- 1-nitrosopyrrolidine-2-carboxylic acid
- English name
- Nsc109546
- Molecular formula
- C5H8N2O3
- Molecular weight
- 144.13
Names & synonyms
2571-28-01-NitrosoprolineNO-ProCHEMBL75995Nitroso-L-Prolinen-nitroso prolineN-Nitroso L-ProlineProline, 1-nitroso-SCHEMBL4416268DTXSID50860015QCA807081-Nitrosoproline (ACD/Name 4.0)
Show more names
N-Nitroso rac-Proline1-nitrosopyrrolidine-2-carboxylic acid
1-nitrosopyrrolidine-2-carboxylicacidBDBM50403310EBC-53076MFCD24479554NSC109545NSC109546NSC-109546DS-012260
Database identifiers
- CAS
2571-28-0、7519-36-0- PubChem CID
- 24141
- DTXSID
DTXSID50860015- ChEMBL
CHEMBL75995- Nikkaji
- J1.414.912K
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 70 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 159
Physicochemical properties
- Boiling point
- 391.692 · 391.692±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.572 · 1.572±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- solubility
- DMSO (Slightly), Methanol (Sparingly)
- form
- Solid
- pka
- 3.232 · 3.232±0.20(predicted)
- color
- White to Off-White
Chemistry & industry
Applications
Uses1-Nitrosopyrrolidine-2-carboxylic Acid may be useful in the preparation of ethanediamine-heterocycle derivatives as inhibitors of protein arginine methyltransferases for treatment of cancers, metabolic, and immune disorders.
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Related reactions
3 records
Compound notes
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