N-Oleoyl Proline

Catalog	DGS107432371
CAS	107432-37-1
Synonyms	1-[(9Z)-1-oxo-9-octadecen-1-yl]-L-proline
IUPAC Name	(2S)-1-[(Z)-octadec-9-enoyl]pyrrolidine-2-carboxylic acid
Molecular Weight	379.6
Molecular Formula	C23H41NO3
InChI	InChI=1S/C23H41NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22(25)24-20-17-18-21(24)23(26)27/h9-10,21H,2-8,11-20H2,1H3,(H,26,27)/b10-9-/t21-/m0/s1
InChI Key	WQCMZYCKACKLDL-YUQDSPFASA-N
Purity	≥95%
Solubility	DMF: 10 mg/mL; DMSO: 12 mg/mL; Ethanol: 12 mg/mL; Ethanol:PBS (pH 7.2) (1:4): 200 µg/mL
Complexity	433
Critical Micelle Concentration	4.8 µM
Exact Mass	379.30864417
Formal Charge	0
Heavy Atom Count	27
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
Isomeric SMILES	CCCCCCCC/C=C\CCCCCCCC(=O)N1CCC[C@H]1C(=O)O
Monoisotopic Mass	379.30864417
Rotatable Bond Count	16
Shipping	Wet ice
Stability	≥1 year
Storage Conditions	-20 °C
Topological Polar Surface Area	57.6 Ų
XLogP3-AA	7.3