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Substance Name: 3-Pyrrolidinecarboxylic acid, 1-methyl-5-oxo-, methyl ester
RN: 59857-86-2
InChIKey: JFZRRXGXEHUJCI-UHFFFAOYSA-N

Classification Codes

  • Drug / Therapeutic Agent
  • Skin / Eye Irritant

Molecular Formula

  • C7-H11-N-O3

Molecular Weight

  • 157.168
 
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Names and Synonyms

Synonyms

  • 1-Methyl-4-methyloxycarbonyl-2-pyrrolidone
  • 1-Methyl-5-oxo-3-pyrrolidinecarboxylic acid methyl ester
  • 5-22-06-00040 (Beilstein Handbook Reference)
  • BRN 0473460

Systematic Name

  • 3-Pyrrolidinecarboxylic acid, 1-methyl-5-oxo-, methyl ester

Registry Numbers

CAS Registry Number

  • 59857-86-2

System Generated Number

  • 0059857862

Structure Descriptors

InChI

1S/C7H11NO3/c1-8-4-5(3-6(8)9)7(10)11-2/h5H,3-4H2,1-2H3

InChIKey

JFZRRXGXEHUJCI-UHFFFAOYSA-N

Smiles

O=C1C[C@@H](C(=O)OC)CN1C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LDLo intraperitoneal > 1gm/kg (1000mg/kg)   Chemical and Pharmaceutical Bulletin. Vol. 38, Pg. 2308, 1990.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 15 deg C   EXP
log P (octanol-water) -0.74 (none)   EXP
Water Solubility 1.00E+06 mg/L 32 EXP
Vapor Pressure 3.21E-03 mm Hg 25 EST
Henry's Law Constant 7.51E-11 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.12E-11 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.