(2S,3S)-2-[(tert-butoxycarbonyl)(methyl)amino]-3-methylpentanoic acid

(2S,3S)-2-[(tert-butoxycarbonyl)(methyl)amino]-3-methylpentanoic acid

CAS: 52498-32-5

Formula: C12H23NO4

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

IUPAC: (2S,3S)-2-{[(tert-butoxy)carbonyl](methyl)amino}-3-methylpentanoic acid

InChI: InChI=1S/C12H23NO4/c1-7-8(2)9(10(14)15)13(6)11(16)17-12(3,4)5/h8-9H,7H2,1-6H3,(H,14,15)/t8-,9-/m0/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	2
Exact Mass	245.162708225
Formal Charge	0
FSP3	0.83
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	HTBIAUMDQYXOFG-IUCAKERBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	63.86
Topological Polar Surface Area	66.84
Polarizability	25.3
Ring Count	0
Rotatable Bond Count	6

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