Basic information
- CAS
106732-52-9- Standard SMILES
NC(=O)CN1CC[C@H](NC(=O)[C@@H]2CCCN2)C1=O- InChIKey
QXHVGEXNEZRSGG-YUMQZZPRSA-N- Molecular formula
- C11H18N4O3
- Average molar mass
- 254.29 g/mol
- Monoisotopic mass
- 254.13789045
Overview
structure given in first source; RN given refers to (S-(R*,R*))-isomer; RN for cpd without isomeric designation not available 12/94; MSH Release-inhibiting hormone antagonist
Names & identifiers
- Preferred name
- 3-(N-prolylamine)-2-oxo-1-pyrrolidineacetamide
- IUPAC
- (2S)-N-[(3S)-1-(2-amino-2-oxoethyl)-2-oxopyrrolidin-3-yl]pyrrolidine-2-carboxamide
- English name
- 3-(N-prolylamine)-2-oxo-1-pyrrolidineacetamide
- Molecular formula
- C11H18N4O3
- Molecular weight
- 254.29
Names & synonyms
3-(N-Prolylamine)-2-oxo-1-pyrrolidineacetamide106732-52-9DTXSID401477462-Oxo-3(R)-((2(S)-pyrrolidinylcarbonyl)amino)-1-pyrrolidineacetamideRefChem:92708DTXCID0070237PAOPA(S-(R*,R*))-2-Oxo-3-((2-pyrrolidinylcarbonyl)amino)-1-pyrrolidineacetamideN-[(3S)-1-(2-Amino-2-oxoethyl)-2-oxopyrrolidin-3-yl]-L-prolinamide1-Pyrrolidineacetamide, 2-oxo-3-((2-pyrrolidinylcarbonyl)amino)-, (S-(R*,R*))-1-Pyrrolidineacetamide, 2-oxo-3-[[(2S)-2-pyrrolidinylcarbonyl]amino]-, (3S)-
Database identifiers
- CAS
106732-52-9- PubChem CID
- 129409
- DTXSID
DTXSID40147746- Nikkaji
- J2.245.488I
Properties
Computed structural properties
- XLogP
- -1.7
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Boiling point
- 647.6 · 647.6±55.0 °C(Predicted)
- Density
- 1.33 · 1.33±0.1 g/cm3(Predicted)
- pka
- 14.21 · 14.21±0.20(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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