2-[(tert-butoxycarbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

2-[(tert-butoxycarbonyl)amino]bicyclo[2.2.1]heptane-2-carboxylic acid

CAS: 172927-01-4

Formula: C13H21NO4

SMILES: [H]C12CCC([H])(C1)C(C2)(NC(=O)OC(C)(C)C)C(O)=O

IUPAC: 2-{[(tert-butoxy)carbonyl]amino}bicyclo[2.2.1]heptane-2-carboxylic acid

InChI: InChI=1/C13H21NO4/c1-12(2,3)18-11(17)14-13(10(15)16)7-8-4-5-9(13)6-8/h8-9H,4-7H2,1-3H3,(H,14,17)(H,15,16)

Composition: C (61.16%), H (8.29%), N (5.49%), O (25.07%)

Molar Mass: 255.314

Atom Count: 39

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	255.14705816
Formal Charge	0
FSP3	0.85
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PUXMQXSFGQBMGE-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.55
Topological Polar Surface Area	75.63
Polarizability	25.7
Ring Count	2
Rotatable Bond Count	4

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