1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

2-cyanoethyl (Z)-3-aminobut-2-enoate

2.1.2 InChI

InChI=1S/C7H10N2O2/c1-6(9)5-7(10)11-4-2-3-8/h5H,2,4,9H2,1H3/b6-5-

2.1.3 InChI Key

QTKRICXKOUIGOK-WAYWQWQTSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2-cyanoethyl (z)-3-aminobut-2-enoate

2. 2-cyanoethyl 3-aminobut-2-enoate

3. 193539-61-6

4. 43107-08-0

5. 2-butenoicacid,3-amino-,2-cyanoethylester

6. Clevidipine Impurity N1

7. Schembl4504832

8. (2-cyanoethyl) 3-aminocrotonate

9. Qtkricxkouigok-waywqwqtsa-n

10. 3-aminocrotonate 2-cyanoethyl Ester

11. 3-aminocrotonate (2-cyanoethyl) Ester

12. Akos005067406

13. Db-200177

14. (2z)-3-amino-but-2-enoic Acid 2-cyanoethyl Ester

2.3 Create Date

2007-02-08

3 Chemical and Physical Properties

Molecular Formula	C₇H₁₀N₂O₂
Molecular Weight	154.17 g/mol
XLogP3	0.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	76.1
Heavy Atom Count	11
Formal Charge	0
Complexity	212
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

CAS 43107-08-0