(3S)-1-(tert-butoxycarbonyl)azepane-3-carboxylic acid

(3S)-1-(tert-butoxycarbonyl)azepane-3-carboxylic acid

CAS: 1427514-89-3

Formula: C12H21NO4

SMILES: CC(C)(C)OC(=O)N1CCCC[C@@H](C1)C(O)=O

IUPAC: (3S)-1-[(tert-butoxy)carbonyl]azepane-3-carboxylic acid

InChI: InChI=1S/C12H21NO4/c1-12(2,3)17-11(16)13-7-5-4-6-9(8-13)10(14)15/h9H,4-8H2,1-3H3,(H,14,15)/t9-/m0/s1

Composition: C (59.24%), H (8.70%), N (5.76%), O (26.30%)

Molar Mass: 243.303

Atom Count: 38

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	243.14705816
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	BSWHWMPKCSLEMJ-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.52
Topological Polar Surface Area	66.84
Polarizability	24.58
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	1427514-89-3		$682.20-$2,167.66$682.20$1,107.16$2,167.66