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(2R)-2-[(tert-butoxycarbonyl)amino]-3-chloropropanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-3-chloropropanoic acid

CAS: 71404-98-3

Formula: C8H14ClNO4

SMILES: CC(C)(C)OC(=O)N[C@@H](CCl)C(O)=O

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-3-chloropropanoic acid

InChI: InChI=1S/C8H14ClNO4/c1-8(2,3)14-7(13)10-5(4-9)6(11)12/h5H,4H2,1-3H3,(H,10,13)(H,11,12)/t5-/m0/s1

Composition: C (42.96%), H (6.31%), Cl (15.85%), N (6.26%), O (28.61%)

Molar Mass: 223.65

Atom Count: 28

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 223.0611356
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey NMRCVEILBKVWIK-YFKPBYRVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 49.96
Topological Polar Surface Area 75.63
Polarizability 19.92
Ring Count 0
Rotatable Bond Count 5

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