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4-{[(benzyloxy)carbonyl]amino}pyrrolidine-3-carboxylic acid

4-{[(benzyloxy)carbonyl]amino}pyrrolidine-3-carboxylic acid

CAS: 1260837-92-0

Formula: C13H16N2O4

SMILES: OC(=O)C1CNCC1NC(=O)OCC1=CC=CC=C1

IUPAC: 4-{[(benzyloxy)carbonyl]amino}pyrrolidine-3-carboxylic acid

InChI: InChI=1/C13H16N2O4/c16-12(17)10-6-14-7-11(10)15-13(18)19-8-9-4-2-1-3-5-9/h1-5,10-11,14H,6-8H2,(H,15,18)(H,16,17)

Composition: C (59.08%), H (6.10%), N (10.60%), O (24.22%)

Molar Mass: 264.281

Atom Count: 35

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 2
Exact Mass 264.111007003
Formal Charge 0
FSP3 0.38
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey VNCNZXSGXXEPGT-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.87
Topological Polar Surface Area 87.66
Polarizability 26.48
Ring Count 2
Rotatable Bond Count 5

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95% <5 Days 1260837-92-0 $2,200.00-$5,040.00$2,200.00$5,040.00
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