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1217811-41-0 | 1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS No: 1217811-41-0 Catalog No: AG001605 MDL No:MFCD06796808
Product Description
Catalog Number:
AG001605
Chemical Name:
1,2-Pyrrolidinedicarboxylic acid, 2-[(2-cyanophenyl)methyl]-, 1-(1,1-dimethylethyl) ester, (2S)-
CAS Number:
1217811-41-0
Molecular Formula:
C18H21N2O4-
Molecular Weight:
329.3703
MDL Number:
MFCD06796808
IUPAC Name:
(2S)-2-[(2-cyanophenyl)methyl]-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidine-2-carboxylic acid
InChI:
InChI=1S/C18H22N2O4/c1-17(2,3)24-16(23)20-10-6-9-18(20,15(21)22)11-13-7-4-5-8-14(13)12-19/h4-5,7-8H,6,9-11H2,1-3H3,(H,21,22)/t18-/m0/s1
InChI Key:
UVLXIDYUXFSJSJ-SFHVURJKSA-N
SMILES:
N#Cc1ccccc1C[C@@]1(CCCN1C(=O)OC(C)(C)C)C(=O)[O-]
Properties
Complexity:
545
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
330.158g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
330.384g/mol
Monoisotopic Mass:
330.158g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
90.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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