tert-butyl N-[(2S)-but-3-yn-2-yl]carbamate

tert-butyl N-[(2S)-but-3-yn-2-yl]carbamate

CAS: 118080-79-8

Formula: C9H15NO2

SMILES: C[C@H](NC(=O)OC(C)(C)C)C#C

IUPAC: tert-butyl N-[(2S)-but-3-yn-2-yl]carbamate

InChI: InChI=1S/C9H15NO2/c1-6-7(2)10-8(11)12-9(3,4)5/h1,7H,2-5H3,(H,10,11)/t7-/m0/s1

Composition: C (63.88%), H (8.93%), N (8.28%), O (18.91%)

Molar Mass: 169.224

Atom Count: 27

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	169.110278727
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	AMWSEGBTTPQUKW-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.79
Topological Polar Surface Area	38.33
Polarizability	18.12
Ring Count	0
Rotatable Bond Count	3

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