Cas no 108365-31-7 (3-Pyrrolidineaceticacid, 2-(methoxycarbonyl)-4-(1-methylethenyl)-, methyl ester, hydrochloride,(2S,3S,4S)- (9CI))

3-Pyrrolidineaceticacid, 2-(methoxycarbonyl)-4-(1-methylethenyl)-, methyl ester, hydrochloride,(2S,3S,4S)- (9CI) structure
108365-31-7 structure
Product Name:3-Pyrrolidineaceticacid, 2-(methoxycarbonyl)-4-(1-methylethenyl)-, methyl ester, hydrochloride,(2S,3S,4S)- (9CI)
CAS No:108365-31-7
MF:C12H20ClNO4
MW:277.74450302124
CID:137151
PubChem ID:45157668
Update Time:2025-04-19

3-Pyrrolidineaceticacid, 2-(methoxycarbonyl)-4-(1-methylethenyl)-, methyl ester, hydrochloride,(2S,3S,4S)- (9CI) Chemical and Physical Properties

Names and Identifiers

    • 3-Pyrrolidineaceticacid, 2-(methoxycarbonyl)-4-(1-methylethenyl)-, methyl ester, hydrochloride,(2S,3S,4S)- (9CI)
    • 3-Pyrrolidineaceticacid, 2-(methoxycarbonyl)-4-(1-methylethenyl)-, methyl ester, hydrochloride...
    • KAINIC ACID DIMETHYL ESTER HYDROCHLORIDE
    • ((3S)-4c-isopropenyl-2t-methoxycarbonyl-pyrrolidin-3r-yl)-acetic acid methyl ester,hydrochloride
    • ((3S)-4c-Isopropenyl-2t-methoxycarbonyl-pyrrolidin-3r-yl)-essigsaeure-methylester,Hydrochlorid
    • (2S,3S,4S)-2-methoxycarbonyl-3-methoxycarbonylmethyl-4-isopropylidenylpyrrolidine hydrochloride
    • KainicaciddimethylesterHCl
    • methyl (2S,3S,4S)-3-(2-methoxy-2-oxoethyl)-4-prop-1-en-2-ylpyrrolidine-2-carboxylate;hydrochloride
    • (2S,3S,4S)-methyl 3-(2-methoxy-2-oxoethyl)-4-(prop-1-en-2-yl)pyrrolidine-2-carboxylate hydrochloride
    • 108365-31-7
    • METHYL (2S,3S,4S)-3-(2-METHOXY-2-OXOETHYL)-4-(PROP-1-EN-2-YL)PYRROLIDINE-2-CARBOXYLATE HYDROCHLORIDE
    • Inchi： 1S/C12H19NO4.ClH/c1-7(2)9-6-13-11(12(15)17-4)8(9)5-10(14)16-3;/h8-9,11,13H,1,5-6H2,2-4H3;1H/t8-,9+,11-;/m0./s1
    • InChI Key： RFQNHBGYCUVUCP-GSTSRXQZSA-N
    • SMILES： Cl.O(C)C([C@@H]1[C@@H](CC(=O)OC)[C@@H](C(=C)C)CN1)=O

Computed Properties

  • Exact Mass: 277.10800
  • Monoisotopic Mass: 277.108
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 327
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 3
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 64.6A^2

Experimental Properties

  • PSA: 64.63000
  • LogP: 1.63360

3-Pyrrolidineaceticacid, 2-(methoxycarbonyl)-4-(1-methylethenyl)-, methyl ester, hydrochloride,(2S,3S,4S)- (9CI) Pricemore >>

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