2,5-dioxopyrrolidin-1-yl (2S)-2-{[(benzyloxy)carbonyl]amino}propanoate

2,5-dioxopyrrolidin-1-yl (2S)-2-{[(benzyloxy)carbonyl]amino}propanoate

CAS: 3401-36-3

Formula: C15H16N2O6

SMILES: C[C@H](NC(=O)OCC1=CC=CC=C1)C(=O)ON1C(=O)CCC1=O

IUPAC: 2,5-dioxopyrrolidin-1-yl (2S)-2-{[(benzyloxy)carbonyl]amino}propanoate

InChI: InChI=1S/C15H16N2O6/c1-10(14(20)23-17-12(18)7-8-13(17)19)16-15(21)22-9-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3,(H,16,21)/t10-/m0/s1

Composition: C (56.25%), H (5.04%), N (8.75%), O (29.97%)

Molar Mass: 320.301

Atom Count: 39

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	320.100836243
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	OFIYNISEFIEQBC-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	76.73
Topological Polar Surface Area	102.01
Polarizability	30.27
Ring Count	2
Rotatable Bond Count	7

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