4-benzyl 1-tert-butyl 2-aminobutanedioate

4-benzyl 1-tert-butyl 2-aminobutanedioate

Formula: C15H21NO4

SMILES: CC(C)(C)OC(=O)C(N)CC(=O)OCC1=CC=CC=C1

IUPAC: 4-benzyl 1-tert-butyl 2-aminobutanedioate

InChI: InChI=1/C15H21NO4/c1-15(2,3)20-14(18)12(16)9-13(17)19-10-11-7-5-4-6-8-11/h4-8,12H,9-10,16H2,1-3H3

Composition: C (64.50%), H (7.58%), N (5.01%), O (22.91%)

Molar Mass: 279.336

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	279.14705816
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	OFNHAOOUAHIECU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.49
Topological Polar Surface Area	78.62
Polarizability	29.96
Ring Count	1
Rotatable Bond Count	8

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C15H21NO4		Quote Only