(3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid

(3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid

CAS: 4125-93-3

Formula: C8H15NO4

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

IUPAC: (3S)-3-amino-4-(tert-butoxy)-4-oxobutanoic acid

InChI: InChI=1S/C8H15NO4/c1-8(2,3)13-7(12)5(9)4-6(10)11/h5H,4,9H2,1-3H3,(H,10,11)/t5-/m0/s1

Composition: C (50.78%), H (7.99%), N (7.40%), O (33.82%)

Molar Mass: 189.211

Atom Count: 28

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	189.100107967
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	PUWCNJZIFKBDJQ-YFKPBYRVSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.11
Topological Polar Surface Area	89.62
Polarizability	18.36
Ring Count	0
Rotatable Bond Count	5

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