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2-{[(benzyloxy)carbonyl]amino}propanedioic acid

2-{[(benzyloxy)carbonyl]amino}propanedioic acid

CAS: 76387-79-6

Formula: C11H11NO6

SMILES: OC(=O)C(NC(=O)OCC1=CC=CC=C1)C(O)=O

IUPAC: 2-{[(benzyloxy)carbonyl]amino}propanedioic acid

InChI: InChI=1S/C11H11NO6/c13-9(14)8(10(15)16)12-11(17)18-6-7-4-2-1-3-5-7/h1-5,8H,6H2,(H,12,17)(H,13,14)(H,15,16)

Composition: C (52.18%), H (4.38%), N (5.53%), O (37.91%)

Molar Mass: 253.21

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 253.058637078
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 3
InChIKey ZWVXUZYECNAQFP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.66
Topological Polar Surface Area 112.93
Polarizability 22.66
Ring Count 1
Rotatable Bond Count 6

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