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1027511-76-7 | 1,3-Pyrrolidinedicarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(phenylmethyl) ester
CAS No: 1027511-76-7 Catalog No: AG0008AD MDL No:MFCD09838931
Product Description
Catalog Number:
AG0008AD
Chemical Name:
1,3-Pyrrolidinedicarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, 1-(phenylmethyl) ester
CAS Number:
1027511-76-7
Molecular Formula:
C18H23N2O6-
Molecular Weight:
363.3850
MDL Number:
MFCD09838931
IUPAC Name:
3-[(2-methylpropan-2-yl)oxycarbonylamino]-1-phenylmethoxycarbonylpyrrolidine-3-carboxylic acid
InChI:
InChI=1S/C18H24N2O6/c1-17(2,3)26-15(23)19-18(14(21)22)9-10-20(12-18)16(24)25-11-13-7-5-4-6-8-13/h4-8H,9-12H2,1-3H3,(H,19,23)(H,21,22)
InChI Key:
YNGVGDISDWWFCT-UHFFFAOYSA-N
SMILES:
O=C(NC1(CCN(C1)C(=O)OCc1ccccc1)C(=O)[O-])OC(C)(C)C
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
364.163g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
364.398g/mol
Monoisotopic Mass:
364.163g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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