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(2R)-2-({[(benzyloxy)carbonyl]amino}methyl)-3-methylbutanoic acid

(2R)-2-({[(benzyloxy)carbonyl]amino}methyl)-3-methylbutanoic acid

CAS: 1138323-75-7

Formula: C14H19NO4

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

IUPAC: (2R)-2-({[(benzyloxy)carbonyl]amino}methyl)-3-methylbutanoic acid

InChI: InChI=1S/C14H19NO4/c1-10(2)12(13(16)17)8-15-14(18)19-9-11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,15,18)(H,16,17)/t12-/m0/s1

Composition: C (63.38%), H (7.22%), N (5.28%), O (24.12%)

Molar Mass: 265.309

Atom Count: 38

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 265.131408096
Formal Charge 0
FSP3 0.43
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey RYEFCGYTOBTQNU-LBPRGKRZSA-N
Lipinski's Rule of Five 1
Molar Refractivity 70.11
Topological Polar Surface Area 75.63
Polarizability 27.5
Ring Count 1
Rotatable Bond Count 7

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