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3-{[(benzyloxy)carbonyl]amino}pentanoic acid

3-{[(benzyloxy)carbonyl]amino}pentanoic acid

CAS: 159391-49-8

Formula: C13H17NO4

SMILES: CCC(CC(O)=O)NC(=O)OCC1=CC=CC=C1

IUPAC: 3-{[(benzyloxy)carbonyl]amino}pentanoic acid

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

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 3
Hydrogen Bond Donor Count 2
InChIKey FVBDPMBKPSHZGD-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.33
Topological Polar Surface Area 75.63
Polarizability 25.66
Ring Count 1
Rotatable Bond Count 7

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Purity LeadTime CAS PacketSize UnitPrice
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