Home Carboxys (S)-2,5-Dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

(S)-2,5-Dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester

CAS No.:
74844-93-2
Catalog Number:
AG00G2X7
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
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Product Description
Catalog Number:
AG00G2X7
Chemical Name:
(S)-2,5-Dihydro-pyrrole-1,2-dicarboxylic acid 1-tert-butyl ester 2-methyl ester
CAS Number:
74844-93-2
Molecular Formula:
C11H17NO4
Molecular Weight:
227.2570
MDL Number:
MFCD00080341
IUPAC Name:
1-O-tert-butyl 2-O-methyl (2S)-2,5-dihydropyrrole-1,2-dicarboxylate
InChI:
InChI=1S/C11H17NO4/c1-11(2,3)16-10(14)12-7-5-6-8(12)9(13)15-4/h5-6,8H,7H2,1-4H3/t8-/m0/s1
InChI Key:
YDQDZLXTPXNOKO-QMMMGPOBSA-N
SMILES:
COC(=O)[C@@H]1C=CCN1C(=O)OC(C)(C)C
Properties
Complexity:
316  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0
Exact Mass:
227.116g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
227.26g/mol
Monoisotopic Mass:
227.116g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
55.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties