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methyl 3-{[(benzyloxy)carbonyl]amino}butanoate

methyl 3-{[(benzyloxy)carbonyl]amino}butanoate

CAS: 121054-27-1

Formula: C13H17NO4

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

IUPAC: methyl 3-{[(benzyloxy)carbonyl]amino}butanoate

InChI: InChI=1/C13H17NO4/c1-10(8-12(15)17-2)14-13(16)18-9-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,14,16)

Composition: C (62.14%), H (6.82%), N (5.57%), O (25.47%)

Molar Mass: 251.282

Atom Count: 35

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 251.115758031
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey HSKIGKMMMZQYID-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.57
Topological Polar Surface Area 64.63
Polarizability 25.91
Ring Count 1
Rotatable Bond Count 7

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