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(3S)-3-{[(benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

(3S)-3-{[(benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

CAS: 4668-42-2

Formula: C13H15NO6

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

IUPAC: (3S)-3-{[(benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

InChI: InChI=1S/C13H15NO6/c1-19-12(17)10(7-11(15)16)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,15,16)/t10-/m0/s1

Composition: C (55.51%), H (5.38%), N (4.98%), O (34.13%)

Molar Mass: 281.264

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 281.089937207
Formal Charge 0
FSP3 0.31
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey MFFFBNAPQRDRQW-JTQLQIEISA-N
Lipinski's Rule of Five 1
Molar Refractivity 66.98
Topological Polar Surface Area 101.93
Polarizability 26.53
Ring Count 1
Rotatable Bond Count 8

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