methyl 2-[(tert-butoxycarbonyl)amino]-4-methylidenecyclopentane-1-carboxylate

methyl 2-[(tert-butoxycarbonyl)amino]-4-methylidenecyclopentane-1-carboxylate

CAS: 1260789-44-3

Formula: C13H21NO4

SMILES: COC(=O)C1CC(=C)CC1NC(=O)OC(C)(C)C

IUPAC: methyl 2-{[(tert-butoxy)carbonyl]amino}-4-methylidenecyclopentane-1-carboxylate

InChI: InChI=1/C13H21NO4/c1-8-6-9(11(15)17-5)10(7-8)14-12(16)18-13(2,3)4/h9-10H,1,6-7H2,2-5H3,(H,14,16)

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	2
Exact Mass	255.14705816
Formal Charge	0
FSP3	0.69
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	XMBXQXTXVMETJK-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	66.39
Topological Polar Surface Area	64.63
Polarizability	26.41
Ring Count	1
Rotatable Bond Count	5

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