2-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid

2-[(tert-butoxycarbonyl)amino]-3-methylbutanoic acid

CAS: 22838-58-0

Formula: C10H19NO4

SMILES: CC(C)C(NC(=O)OC(C)(C)C)C(O)=O

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

InChI: InChI=1/C10H19NO4/c1-6(2)7(8(12)13)11-9(14)15-10(3,4)5/h6-7H,1-5H3,(H,11,14)(H,12,13)

Composition: C (55.28%), H (8.82%), N (6.45%), O (29.46%)

Molar Mass: 217.265

Atom Count: 34

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	217.131408096
Formal Charge	0
FSP3	0.8
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	SZXBQTSZISFIAO-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.37
Topological Polar Surface Area	75.63
Polarizability	21.64
Ring Count	0
Rotatable Bond Count	5

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