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1217648-30-0 | 1,2-Pyrrolidinedicarboxylic acid, 2-(2-naphthalenylmethyl)-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS No: 1217648-30-0 Catalog No: AG0015UU MDL No:MFCD06659189
Product Description
Catalog Number:
AG0015UU
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 2-(2-naphthalenylmethyl)-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
1217648-30-0
Molecular Formula:
C21H24NO4-
Molecular Weight:
354.4196
MDL Number:
MFCD06659189
IUPAC Name:
(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]-2-(naphthalen-2-ylmethyl)pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C21H25NO4/c1-20(2,3)26-19(25)22-12-6-11-21(22,18(23)24)14-15-9-10-16-7-4-5-8-17(16)13-15/h4-5,7-10,13H,6,11-12,14H2,1-3H3,(H,23,24)/t21-/m0/s1
InChI Key:
NIOMUOZNEGRIFH-NRFANRHFSA-N
SMILES:
O=C(N1CCC[C@]1(Cc1ccc2c(c1)cccc2)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
541
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
355.178g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
355.434g/mol
Monoisotopic Mass:
355.178g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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