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1251570-88-3 | 1-Pyrrolidinecarboxylic acid, 3-[(1S)-1-hydroxy-3-methylbutyl]-, 1,1-dimethylethyl ester, (3S)-
CAS No: 1251570-88-3 Catalog No: AG000N8Z MDL No:MFCD22393256
Product Description
Catalog Number:
AG000N8Z
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[(1S)-1-hydroxy-3-methylbutyl]-, 1,1-dimethylethyl ester, (3S)-
CAS Number:
1251570-88-3
Molecular Formula:
C14H27NO3
Molecular Weight:
257.3691
MDL Number:
MFCD22393256
IUPAC Name:
tert-butyl (3S)-3-[(1S)-1-hydroxy-3-methylbutyl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C14H27NO3/c1-10(2)8-12(16)11-6-7-15(9-11)13(17)18-14(3,4)5/h10-12,16H,6-9H2,1-5H3/t11-,12-/m0/s1
InChI Key:
MQRNOQSTKGOKHN-RYUDHWBXSA-N
SMILES:
CC(C[C@@H]([C@H]1CCN(C1)C(=O)OC(C)(C)C)O)C
Properties
Complexity:
283
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
257.199g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
257.374g/mol
Monoisotopic Mass:
257.199g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
49.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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