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1428243-71-3 | (3S,4R)-1-((Benzyloxy)carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CAS No: 1428243-71-3 Catalog No: AG003BTH MDL No:MFCD27991306
Product Description
Catalog Number:
AG003BTH
Chemical Name:
(3S,4R)-1-((Benzyloxy)carbonyl)-4-methylpyrrolidine-3-carboxylic acid
CAS Number:
1428243-71-3
Molecular Formula:
C14H17NO4
Molecular Weight:
263.2891
MDL Number:
MFCD27991306
IUPAC Name:
(3S,4R)-4-methyl-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C14H17NO4/c1-10-7-15(8-12(10)13(16)17)14(18)19-9-11-5-3-2-4-6-11/h2-6,10,12H,7-9H2,1H3,(H,16,17)/t10-,12+/m0/s1
InChI Key:
BBGSNKXBKDVHPM-CMPLNLGQSA-N
SMILES:
O=C(N1C[C@H]([C@H](C1)C)C(=O)O)OCc1ccccc1
Properties
Complexity:
338
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
263.116g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
263.293g/mol
Monoisotopic Mass:
263.116g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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