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(2R)-2-(2,2-dimethylpropanamido)-3-sulfanylpropanoic acid

(2R)-2-(2,2-dimethylpropanamido)-3-sulfanylpropanoic acid

CAS: 124529-03-9

Formula: C8H15NO3S

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

IUPAC: (2R)-2-(2,2-dimethylpropanamido)-3-sulfanylpropanoic acid

InChI: InChI=1S/C8H15NO3S/c1-8(2,3)7(12)9-5(4-13)6(10)11/h5,13H,4H2,1-3H3,(H,9,12)(H,10,11)/t5-/m0/s1

Composition: C (46.81%), H (7.37%), N (6.82%), O (23.38%), S (15.62%)

Molar Mass: 205.27

Atom Count: 28

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 205.077264521
Formal Charge 0
FSP3 0.75
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey NKIKSSZMMDDQRL-YFKPBYRVSA-N
Lipinski's Rule of Five 1
Molar Refractivity 51.37
Topological Polar Surface Area 66.4
Polarizability 20.31
Ring Count 0
Rotatable Bond Count 4

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