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101385-93-7

101385-93-7 | 1-Pyrrolidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester

CAS No: 101385-93-7 Catalog No: AG0004CM MDL No:MFCD01631194

Product Description

Catalog Number:
AG0004CM
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-oxo-, 1,1-dimethylethyl ester
CAS Number:
101385-93-7
Molecular Formula:
C9H15NO3
Molecular Weight:
185.2203
MDL Number:
MFCD01631194
IUPAC Name:
tert-butyl 3-oxopyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H15NO3/c1-9(2,3)13-8(12)10-5-4-7(11)6-10/h4-6H2,1-3H3
InChI Key:
JSOMVCDXPUXKIC-UHFFFAOYSA-N
SMILES:
O=C1CCN(C1)C(=O)OC(C)(C)C

Properties

Complexity:
230  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
185.105g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
185.223g/mol
Monoisotopic Mass:
185.105g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
46.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  

Literature

Title Journal
New synthetic technologies for the construction of heterocycles and tryptamines. Journal of the American Chemical Society 20090318
Chiral alcohol production by NADH-dependent phenylacetaldehyde reductase coupled with in situ regeneration of NADH. European journal of biochemistry 20020501

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