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114676-61-8 | 1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2S,4R)-
CAS No: 114676-61-8 Catalog No: AG000F0Z MDL No:MFCD11111254
Product Description
Catalog Number:
AG000F0Z
Chemical Name:
1-Pyrrolidinecarboxylic acid, 4-hydroxy-2-methyl-, 1,1-dimethylethyl ester, (2S,4R)-
CAS Number:
114676-61-8
Molecular Formula:
C10H19NO3
Molecular Weight:
201.2628
MDL Number:
MFCD11111254
IUPAC Name:
tert-butyl (2S,4R)-4-hydroxy-2-methylpyrrolidine-1-carboxylate
InChI:
InChI=1S/C10H19NO3/c1-7-5-8(12)6-11(7)9(13)14-10(2,3)4/h7-8,12H,5-6H2,1-4H3/t7-,8+/m0/s1
InChI Key:
BXZADLGAYWRZCR-JGVFFNPUSA-N
SMILES:
C[C@H]1C[C@H](CN1C(=O)OC(C)(C)C)O
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
201.136g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.266g/mol
Monoisotopic Mass:
201.136g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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