(2S,3R)-3-(tert-butoxy)-2-acetamidobutanoic acid

(2S,3R)-3-(tert-butoxy)-2-acetamidobutanoic acid

CAS: 163277-80-3

Formula: C10H19NO4

SMILES: C[C@@H](OC(C)(C)C)[C@H](NC(C)=O)C(O)=O

IUPAC: (2S,3R)-3-(tert-butoxy)-2-acetamidobutanoic acid

InChI: InChI=1S/C10H19NO4/c1-6(15-10(3,4)5)8(9(13)14)11-7(2)12/h6,8H,1-5H3,(H,11,12)(H,13,14)/t6-,8+/m1/s1

Composition: C (55.28%), H (8.82%), N (6.45%), O (29.46%)

Molar Mass: 217.265

Atom Count: 34

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	217.131408096
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	JTQQJUFULLOMEJ-SVRRBLITSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.46
Topological Polar Surface Area	75.63
Polarizability	21.64
Ring Count	0
Rotatable Bond Count	5

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