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2-[(tert-butoxycarbonyl)amino]-3-(piperidin-3-yl)propanoic acid

2-[(tert-butoxycarbonyl)amino]-3-(piperidin-3-yl)propanoic acid

CAS: 117049-94-2

Formula: C13H24N2O4

SMILES: CC(C)(C)OC(=O)NC(CC1CCCNC1)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}-3-(piperidin-3-yl)propanoic acid

InChI: InChI=1/C13H24N2O4/c1-13(2,3)19-12(18)15-10(11(16)17)7-9-5-4-6-14-8-9/h9-10,14H,4-8H2,1-3H3,(H,15,18)(H,16,17)

Composition: C (57.33%), H (8.88%), N (10.29%), O (23.50%)

Molar Mass: 272.345

Atom Count: 43

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 2
Exact Mass 272.173607261
Formal Charge 0
FSP3 0.85
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey GETPKHLMTQAZSX-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.2
Topological Polar Surface Area 87.66
Polarizability 27.94
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 117049-94-2 $240.96-$551.04$240.96$361.92$551.04
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