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(2S)-1-{2-[(tert-butoxycarbonyl)amino]acetyl}pyrrolidine-2-carboxylic acid

(2S)-1-{2-[(tert-butoxycarbonyl)amino]acetyl}pyrrolidine-2-carboxylic acid

CAS: 14296-92-5

Formula: C12H20N2O5

SMILES: CC(C)(C)OC(=O)NCC(=O)N1CCC[C@H]1C(O)=O

IUPAC: (2S)-1-(2-{[(tert-butoxy)carbonyl]amino}acetyl)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C12H20N2O5/c1-12(2,3)19-11(18)13-7-9(15)14-6-4-5-8(14)10(16)17/h8H,4-7H2,1-3H3,(H,13,18)(H,16,17)/t8-/m1/s1

Composition: C (52.93%), H (7.40%), N (10.29%), O (29.38%)

Molar Mass: 272.301

Atom Count: 39

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 272.137221752
Formal Charge 0
FSP3 0.75
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey CMSBRKBRYYDCFQ-QMMMGPOBSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.86
Topological Polar Surface Area 95.94
Polarizability 25.89
Ring Count 1
Rotatable Bond Count 5

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