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159173-40-7 | 1-Pyrrolidinecarboxylic acid, 2-[(1R,2S)-1-hydroxy-2-methyl-3-buten-1-yl]-, 1,1-dimethylethyl ester, (2S)-
CAS No: 159173-40-7 Catalog No: AG001QJ5 MDL No:
Product Description
Catalog Number:
AG001QJ5
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[(1R,2S)-1-hydroxy-2-methyl-3-buten-1-yl]-, 1,1-dimethylethyl ester, (2S)-
CAS Number:
159173-40-7
Molecular Formula:
C14H25NO3
Molecular Weight:
255.3532
IUPAC Name:
tert-butyl (2S)-2-[(1R,2S)-1-hydroxy-2-methylbut-3-enyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H25NO3/c1-6-10(2)12(16)11-8-7-9-15(11)13(17)18-14(3,4)5/h6,10-12,16H,1,7-9H2,2-5H3/t10-,11-,12+/m0/s1
InChI Key:
FAZLEVGCLGUJHN-SDDRHHMPSA-N
SMILES:
C=C[C@@H]([C@H]([C@@H]1CCCN1C(=O)OC(C)(C)C)O)C
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
3
Defined Bond Stereocenter Count:
0
Exact Mass:
255.183g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.358g/mol
Monoisotopic Mass:
255.183g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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