(2S)-1-(tert-butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(tert-butoxycarbonyl)-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid

CAS: 1217671-12-9

Formula: C13H19NO4

SMILES: CC(C)(C)OC(=O)N1CCC[C@]1(CC#C)C(O)=O

IUPAC: (2S)-1-[(tert-butoxy)carbonyl]-2-(prop-2-yn-1-yl)pyrrolidine-2-carboxylic acid

InChI: InChI=1S/C13H19NO4/c1-5-7-13(10(15)16)8-6-9-14(13)11(17)18-12(2,3)4/h1H,6-9H2,2-4H3,(H,15,16)/t13-/m1/s1

Composition: C (61.64%), H (7.56%), N (5.53%), O (25.27%)

Molar Mass: 253.298

Atom Count: 37

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	253.131408096
Formal Charge	0
FSP3	0.69
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NZGJCBRBXVANRO-CYBMUJFWSA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.36
Topological Polar Surface Area	66.84
Polarizability	25.33
Ring Count	1
Rotatable Bond Count	4

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95%	<2 Days	1217671-12-9		$756.01$756.01$756.01