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150986-62-2 | 1-Pyrrolidinecarboxylic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester, (3R,4R)-
CAS No: 150986-62-2 Catalog No: AG001MZ4 MDL No:MFCD11054830
Product Description
Catalog Number:
AG001MZ4
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3,4-dihydroxy-, 1,1-dimethylethyl ester, (3R,4R)-
CAS Number:
150986-62-2
Molecular Formula:
C9H17NO4
Molecular Weight:
203.2356
MDL Number:
MFCD11054830
IUPAC Name:
tert-butyl (3R,4R)-3,4-dihydroxypyrrolidine-1-carboxylate
InChI:
InChI=1S/C9H17NO4/c1-9(2,3)14-8(13)10-4-6(11)7(12)5-10/h6-7,11-12H,4-5H2,1-3H3/t6-,7-/m1/s1
InChI Key:
MAXQBMZDVBHSLW-RNFRBKRXSA-N
SMILES:
O[C@@H]1CN(C[C@H]1O)C(=O)OC(C)(C)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
203.116g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
203.238g/mol
Monoisotopic Mass:
203.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
70A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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