Basic information
- Standard SMILES
CC(C)OC(=O)C1CCC(=O)N1- InChIKey
IZHXNBPKBCUDOZ-UHFFFAOYSA-N- Molecular formula
- C8H13NO3
- Average molar mass
- 171.19 g/mol
Names & identifiers
- Preferred name
- Isopropyl 5-oxo-DL-prolinate
- IUPAC
- propan-2-yl 5-oxopyrrolidine-2-carboxylate
- English name
- isopropyl 5-oxo-DL-prolinate
- Molecular formula
- C8H13NO3
- Molecular weight
- 171.19
Names & synonyms
85136-11-4ISOPROPYL 5-OXOPYRROLIDINE-2-CARBOXYLATEDL-Pyroglutamic acid isopropyl esterIsopropyl 5-oxo-DL-prolinateNSC-134259EINECS 285-734-1NSC134259SCHEMBL3769213DTXSID401005554MFCD23713987isopropyl 2-pyrrolidone-5-carboxylateAKOS017270821
Show more names
ISOPROPYL PCAProline, 5-oxo-, 1-methylethyl ester5-Oxo-DL-proline 1-methylethyl ester(±)-5-Oxoproline 1-methylethyl ester
Propan-2-yl 5-hydroxy-3,4-dihydro-2H-pyrrole-2-carboxylate
Database identifiers
- CAS
52989-50-1、85136-11-4- PubChem CID
- 97590
- DTXSID
DTXSID401005554- EC Number
- 285-734-1
- Nikkaji
- J1.711.804H
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- Melting point
- 86 °C · 86 °C (triclinic crystal)
- Boiling point
- 314.5 · 314.5±35.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- pka
- 14.84 · 14.84±0.40(Predicted)
- Cosmetics Ingredients Functions
- HUMECTANT
Chemistry & industry
Suppliers2 total
苏州爱玛特生物科技有限公司0512-56316828 400-867-5858;400-867-5858 · [email protected]
湖北玖天生物医药科技有限公司027-88013699 17354350817 · [email protected]
Related reactions
2 records
Linked notes
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