CAS No.: 67118-31-4 — 2-(2-oxopyrrolidin-1-yl)butanoic Acid (乙拉西坦羧酸)

1. Primary Information

English name:	2-(2-oxopyrrolidin-1-yl)butanoic Acid
CAS No.:	67118-31-4
Molecular formula:	C₈H₁₃NO₃
Molecular weight:	171.19 g/mol
SMILES:	CCC(C(=O)O)N1CCCC1=O
Structural class:
Other identifiers:	1-ethyl-2-oxo-1-pyrrolidine acetic acid 2-(2-oxopyrrolidin-1-yl)butanoic acid 2-pyrrilidone-N-butyric acid Imp-2 cpd

2. Suppliers & Pricing

Supplier	Pack size	Purity	Price (CNY)	Storage conditions	Lead time	Notes
Kehua Intelligence	25mg	≥90%	824	2-8°C	in stock	-

3. Structures

3.1 2D structure

3.2 3D structure

-1 -2 -3 25 25 0 1 0 0 0 0 0999 V2000 -1.6779 -0.1121 1.9472 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9089 0.5950 -0.5398 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5477 2.0114 0.5950 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4214 -0.0012 -0.0404 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6555 0.3890 -1.4105 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9063 -0.3131 0.4426 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.1593 0.2637 -1.5517 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6843 0.5626 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5661 0.0916 0.7476 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4411 -1.5767 -0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7927 0.8865 0.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5678 -2.7966 0.0263 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1333 -0.2574 -2.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3317 1.4263 -1.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8810 -0.4693 1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4212 -0.7661 -1.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5726 0.9298 -2.3142 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6112 0.0239 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8293 1.6366 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5487 -1.4473 -1.3214 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4463 -1.7961 0.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4396 -2.9626 1.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0339 -3.6907 -0.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4219 -2.6903 -0.4284 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4704 1.3869 -0.6808 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 11 1 0 0 0 0 2 25 1 0 0 0 0 3 11 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 9 1 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 6 15 1 0 0 0 0 7 8 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 8 9 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 10 12 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 1 0 0 0 0

4. International Nomenclature & Identifiers

4.1 IUPAC Name

2-(2-oxopyrrolidin-1-yl)butanoic acid

4.2 InChI

InChI=1S/C8H13NO3/c1-2-6(8(11)12)9-5-3-4-7(9)10/h6H,2-5H2,1H3,(H,11,12)

4.3 InChIKey

IODGAONBTQRGGG-UHFFFAOYSA-N

4.4 Canonical SMILES

CCC(C(=O)O)N1CCCC1=O

4.5 Isomeric SMILES

4.6 SDF file

Coming soon

5. Spectroscopic data

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)

5.3 Mass spectrometry (MS)

Coming soon

5.4 Infrared spectroscopy (IR)

Coming soon

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

Coming soon

1. Primary Information

2. Suppliers & Pricing

3. Structures

3.1 2D structure

3.2 3D structure

4. International Nomenclature & Identifiers

4.1 IUPAC Name

4.2 InChI

4.3 InChIKey

4.4 Canonical SMILES

4.5 Isomeric SMILES

4.6 SDF file

5. Spectroscopic data

5.1 13C nuclear magnetic resonance (13C NMR)

5.2 1H nuclear magnetic resonance (1H NMR)

5.3 Mass spectrometry (MS)

5.4 Infrared spectroscopy (IR)

5.5 Ultraviolet/visible spectroscopy (UV/Vis)

5.1 ¹³C nuclear magnetic resonance (¹³C NMR)

5.2 ¹H nuclear magnetic resonance (¹H NMR)