(2R)-2-[(tert-butoxycarbonyl)amino]-4,4-dimethylpentanoic acid

(2R)-2-[(tert-butoxycarbonyl)amino]-4,4-dimethylpentanoic acid

CAS: 112695-98-4

Formula: C12H23NO4

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

IUPAC: (2R)-2-{[(tert-butoxy)carbonyl]amino}-4,4-dimethylpentanoic acid

InChI: InChI=1S/C12H23NO4/c1-11(2,3)7-8(9(14)15)13-10(16)17-12(4,5)6/h8H,7H2,1-6H3,(H,13,16)(H,14,15)/t8-/m1/s1

Composition: C (58.75%), H (9.45%), N (5.71%), O (26.09%)

Molar Mass: 245.319

Atom Count: 40

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	245.162708225
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PUQVQDMFCAGQQB-MRVPVSSYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.52
Topological Polar Surface Area	75.63
Polarizability	25.3
Ring Count	0
Rotatable Bond Count	6

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