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methyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-oxohexanoate

methyl (2S)-2-[(tert-butoxycarbonyl)amino]-5-oxohexanoate

CAS: 1228032-16-3

Formula: C12H21NO5

SMILES: COC(=O)[C@H](CCC(C)=O)NC(=O)OC(C)(C)C

IUPAC: methyl (2S)-2-{[(tert-butoxy)carbonyl]amino}-5-oxohexanoate

InChI: InChI=1S/C12H21NO5/c1-8(14)6-7-9(10(15)17-5)13-11(16)18-12(2,3)4/h9H,6-7H2,1-5H3,(H,13,16)/t9-/m0/s1

Composition: C (55.58%), H (8.16%), N (5.40%), O (30.85%)

Molar Mass: 259.302

Atom Count: 39

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 259.14197278
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey UUOWDFUZLUYDFB-VIFPVBQESA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.48
Topological Polar Surface Area 81.7
Polarizability 25.67
Ring Count 0
Rotatable Bond Count 8

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Purity LeadTime CAS PacketSize UnitPrice
95% <5 Days 1228032-16-3 $1,460.00-$3,190.00$1,460.00$1,700.00$3,190.00
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