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(2S)-2-amino-3-{[(benzyloxy)carbonyl]amino}propanoic acid hydrochloride

(2S)-2-amino-3-{[(benzyloxy)carbonyl]amino}propanoic acid hydrochloride

CAS: 28415-54-5

Formula: C11H15ClN2O4

SMILES: Cl[H].N[C@@H](CNC(=O)OCC1=CC=CC=C1)C(O)=O

IUPAC: (2S)-2-amino-3-{[(benzyloxy)carbonyl]amino}propanoic acid hydrochloride

InChI: InChI=1S/C11H14N2O4.ClH/c12-9(10(14)15)6-13-11(16)17-7-8-4-2-1-3-5-8;/h1-5,9H,6-7,12H2,(H,13,16)(H,14,15);1H/t9-;/m0./s1

Composition: C (48.10%), H (5.50%), Cl (12.90%), N (10.20%), O (23.30%)

Molar Mass: 274.7

Atom Count: 33

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 274.0720347
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 3
InChIKey PWFXBSAAYFMJIY-FVGYRXGTSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.38
Topological Polar Surface Area 101.65
Polarizability 23.53
Ring Count 1
Rotatable Bond Count 6

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Purity LeadTime CAS PacketSize UnitPrice
97% <7 Days 28415-54-5 $62.40-$568.32$62.40$190.08$568.32
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