tert-butyl N-[(1S,2S,3R,5S)-2,6,6-trimethyl-3-(methylcarbamoyl)bicyclo[3.1.1]heptan-2-yl]carbamate

tert-butyl N-[(1S,2S,3R,5S)-2,6,6-trimethyl-3-(methylcarbamoyl)bicyclo[3.1.1]heptan-2-yl]carbamate

CAS: 705949-12-8

Formula: C17H30N2O3

SMILES: CNC(=O)[C@@H]1C[C@@H]2C[C@@H](C2(C)C)[C@]1(C)NC(=O)OC(C)(C)C

IUPAC: tert-butyl N-[(1S,2S,3R,5S)-2,6,6-trimethyl-3-(methylcarbamoyl)bicyclo[3.1.1]heptan-2-yl]carbamate

InChI: InChI=1S/C17H30N2O3/c1-15(2,3)22-14(21)19-17(6)11(13(20)18-7)8-10-9-12(17)16(10,4)5/h10-12H,8-9H2,1-7H3,(H,18,20)(H,19,21)/t10-,11+,12+,17-/m1/s1

Composition: C (65.77%), H (9.74%), N (9.02%), O (15.46%)

Molar Mass: 310.438

Atom Count: 52

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	4
Exact Mass	310.225642834
Formal Charge	0
FSP3	0.88
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	YYIOUIMMZRRKRK-XSLLRJJBSA-N
Lipinski's Rule of Five	1
Molar Refractivity	84.89
Topological Polar Surface Area	67.43
Polarizability	33.71
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	705949-12-8		$122.13-$2,026.53$122.13$280.49$503.01$923.22$2,026.53