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(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

(2S)-2-{[(benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

CAS: 3160-47-2

Formula: C13H15NO6

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

IUPAC: (2S)-2-{[(benzyloxy)carbonyl]amino}-4-methoxy-4-oxobutanoic acid

InChI: InChI=1S/C13H15NO6/c1-19-11(15)7-10(12(16)17)14-13(18)20-8-9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,16,17)/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 PHMBNDDHIBIDRQ-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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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 3160-47-2 $6.21-$151.11$6.21$6.21$15.53$27.95$57.96$151.11
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