tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate

tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate

CAS: 194032-32-1

Formula: C11H22N2O2

SMILES: C[C@H]1CN(CCCN1)C(=O)OC(C)(C)C

IUPAC: tert-butyl (3S)-3-methyl-1,4-diazepane-1-carboxylate

InChI: InChI=1S/C11H22N2O2/c1-9-8-13(7-5-6-12-9)10(14)15-11(2,3)4/h9,12H,5-8H2,1-4H3/t9-/m0/s1

Composition: C (61.65%), H (10.35%), N (13.07%), O (14.93%)

Molar Mass: 214.309

Atom Count: 37

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	214.168127956
Formal Charge	0
FSP3	0.91
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	GDTFCUXOVITPHU-VIFPVBQESA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.73
Topological Polar Surface Area	41.57
Polarizability	23.69
Ring Count	1
Rotatable Bond Count	2

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