tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate

tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate

CAS: 5854-78-4

Formula: C12H25NO3

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

IUPAC: tert-butyl (2S,3R)-2-amino-3-(tert-butoxy)butanoate

InChI: InChI=1S/C12H25NO3/c1-8(15-11(2,3)4)9(13)10(14)16-12(5,6)7/h8-9H,13H2,1-7H3/t8-,9+/m1/s1

Composition: C (62.30%), H (10.89%), N (6.05%), O (20.75%)

Molar Mass: 231.336

Atom Count: 41

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	231.183443669
Formal Charge	0
FSP3	0.92
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PPDIUNOGUIAFLV-BDAKNGLRSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.59
Topological Polar Surface Area	61.55
Polarizability	25.82
Ring Count	0
Rotatable Bond Count	6

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