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(2S)-1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-2-methylpyrrolidine-2-carboxylic acid

(2S)-1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-2-methylpyrrolidine-2-carboxylic acid

CAS: 869001-86-5

Formula: C16H20N2O5

SMILES: C[C@]1(CCCN1C(=O)CNC(=O)OCC1=CC=CC=C1)C(O)=O

IUPAC: (2S)-1-(2-{[(benzyloxy)carbonyl]amino}acetyl)-2-methylpyrrolidine-2-carboxylic acid

InChI: InChI=1S/C16H20N2O5/c1-16(14(20)21)8-5-9-18(16)13(19)10-17-15(22)23-11-12-6-3-2-4-7-12/h2-4,6-7H,5,8-11H2,1H3,(H,17,22)(H,20,21)/t16-/m0/s1

Composition: C (59.99%), H (6.29%), N (8.74%), O (24.97%)

Molar Mass: 320.345

Atom Count: 43

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 320.137221752
Formal Charge 0
FSP3 0.44
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey YBKNTPKTWJAXOY-INIZCTEOSA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.38
Topological Polar Surface Area 95.94
Polarizability 31.72
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 869001-86-5 $379.50-$1,670.95$379.50$600.30$1,670.95
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Purity LeadTime CAS PacketSize UnitPrice
98% <7 Days 869001-86-5 $270.14-$1,270.98$270.14$440.91$1,270.98
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