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88514-34-5 | 1-Piperazinecarboxylic acid, 4-[(2-oxo-1-pyrrolidinyl)methyl]-, ethyl ester
CAS No: 88514-34-5 Catalog No: AG00489C MDL No:
Product Description
Catalog Number:
AG00489C
Chemical Name:
1-Piperazinecarboxylic acid, 4-[(2-oxo-1-pyrrolidinyl)methyl]-, ethyl ester
CAS Number:
88514-34-5
Molecular Formula:
C12H21N3O3
Molecular Weight:
255.3134
IUPAC Name:
ethyl 4-[(2-oxopyrrolidin-1-yl)methyl]piperazine-1-carboxylate
InChI:
InChI=1S/C12H21N3O3/c1-2-18-12(17)14-8-6-13(7-9-14)10-15-5-3-4-11(15)16/h2-10H2,1H3
InChI Key:
JDSZNQCKUOFJCE-UHFFFAOYSA-N
SMILES:
CCOC(=O)N1CCN(CC1)CN1CCCC1=O
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.158g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.318g/mol
Monoisotopic Mass:
255.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
53.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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