Home Carboxys 1-Acetyl-pyrrolidine-2-carboxylic acid Methyl ester

1-Acetyl-pyrrolidine-2-carboxylic acid Methyl ester

CAS No.:
18800-83-4
Catalog Number:
AG00ATT1
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
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Product Description
Catalog Number:
AG00ATT1
Chemical Name:
1-Acetyl-pyrrolidine-2-carboxylic acid Methyl ester
CAS Number:
18800-83-4
Molecular Formula:
C8H13NO3
Molecular Weight:
171.1937
MDL Number:
MFCD12144256
IUPAC Name:
methyl 1-acetylpyrrolidine-2-carboxylate
InChI:
InChI=1S/C8H13NO3/c1-6(10)9-5-3-4-7(9)8(11)12-2/h7H,3-5H2,1-2H3
InChI Key:
WCIXKWOJEMZXMK-UHFFFAOYSA-N
SMILES:
COC(=O)C1CCCN1C(=O)C
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
171.09g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
171.196g/mol
Monoisotopic Mass:
171.09g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4  
Properties