CCOC(=O)C(C#N)N
CAS: 32683-02-6
Name: ethyl 2-amino-2-cyanoacetate
SMILES: CCOC(=O)C(C#N)N

Molecular Processing

Molecular formula
C5H8N2O2
Molecular weight
128.13
Exact mass
128.0586
XLogP
-0.6
TPSA
76.11
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
9
Rings
0
Aromatic rings
0
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.6
Molar refractivity
30.22

Supplementary Information

InChIKey: JYGRVMQGWVVHJE-UHFFFAOYSA-N
Synonyme
ethyl 2-amino-2-cyanoacetate32683-02-6ethyl aminocyanoacetateAcetic acid, aminocyano-, ethyl esterEthyl 2-amino-2-cyano-acetateMFCD022337122-amino-2-cyanoacetic acid ethyl esteraminocyanoacetic acid ethyl esterethyl amino(cyano)acetateethyl-aminocyanoacetateethyl alpha-aminocyanoacetateethyl2-amino-2-cyanoacetateSCHEMBL319258aminocyanacetic acid ethyl esteramino-cyano-acetic acid ethyl esterAKOS006230319BS-32277SY271452EN300-57236
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