1-[(tert-butoxycarbonyl)amino]-2,2-dimethylcyclopropane-1-carboxylic acid

1-[(tert-butoxycarbonyl)amino]-2,2-dimethylcyclopropane-1-carboxylic acid

CAS: 123311-18-2

Formula: C11H19NO4

SMILES: CC(C)(C)OC(=O)NC1(CC1(C)C)C(O)=O

IUPAC: 1-{[(tert-butoxy)carbonyl]amino}-2,2-dimethylcyclopropane-1-carboxylic acid

InChI: InChI=1/C11H19NO4/c1-9(2,3)16-8(15)12-11(7(13)14)6-10(11,4)5/h6H2,1-5H3,(H,12,15)(H,13,14)

Composition: C (57.63%), H (8.35%), N (6.11%), O (27.91%)

Molar Mass: 229.276

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	229.131408096
Formal Charge	0
FSP3	0.82
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	OYYZOJAZPUWXIS-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57
Topological Polar Surface Area	75.63
Polarizability	22.76
Ring Count	1
Rotatable Bond Count	4

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95%	<6 Days	123311-18-2		$336.95-$5,431.45$336.95$479.55$665.85$1,022.35$1,298.35$2,500.10$3,676.55$5,431.45