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(3S,4R)-1-[(benzyloxy)carbonyl]-4-methylpyrrolidine-3-carboxylic acid

(3S,4R)-1-[(benzyloxy)carbonyl]-4-methylpyrrolidine-3-carboxylic acid

CAS: 1428243-71-3

Formula: C14H17NO4

SMILES: C[C@H]1CN(C[C@H]1C(O)=O)C(=O)OCC1=CC=CC=C1

IUPAC: (3S,4R)-1-[(benzyloxy)carbonyl]-4-methylpyrrolidine-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

Composition: C (63.87%), H (6.51%), N (5.32%), O (24.31%)

Molar Mass: 263.293

Atom Count: 36

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 263.115758031
Formal Charge 0
FSP3 0.43
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey BBGSNKXBKDVHPM-CMPLNLGQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 68.59
Topological Polar Surface Area 66.84
Polarizability 26.78
Ring Count 2
Rotatable Bond Count 4

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