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122536-74-7 | 1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester, (3S)-
CAS No: 122536-74-7 Catalog No: AG0017EU MDL No:MFCD08704348
Product Description
Catalog Number:
AG0017EU
Chemical Name:
1-Pyrrolidinecarboxylic acid, 3-[[(1,1-dimethylethoxy)carbonyl]amino]-, phenylmethyl ester, (3S)-
CAS Number:
122536-74-7
Molecular Formula:
C17H24N2O4
Molecular Weight:
320.3835
MDL Number:
MFCD08704348
IUPAC Name:
benzyl (3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C17H24N2O4/c1-17(2,3)23-15(20)18-14-9-10-19(11-14)16(21)22-12-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3,(H,18,20)/t14-/m0/s1
InChI Key:
VCCUTXNUDLVCTI-AWEZNQCLSA-N
SMILES:
O=C(OC(C)(C)C)N[C@H]1CCN(C1)C(=O)OCc1ccccc1
Properties
Complexity:
413
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
320.174g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
320.389g/mol
Monoisotopic Mass:
320.174g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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