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

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

CAS: 55721-65-8

Formula: C11H21NO4

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

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

InChI: InChI=1S/C11H21NO4/c1-6-7(2)8(9(13)14)12-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H,12,15)(H,13,14)/t7-,8-/m1/s1

Composition: C (57.12%), H (9.15%), N (6.06%), O (27.67%)

Molar Mass: 231.292

Atom Count: 37

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	231.14705816
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	QJCNLJWUIOIMMF-HTQZYQBOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.97
Topological Polar Surface Area	75.63
Polarizability	23.47
Ring Count	0
Rotatable Bond Count	6

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