4-tert-butyl 1-methyl (2S)-2-aminobutanedioate hydrochloride

4-tert-butyl 1-methyl (2S)-2-aminobutanedioate hydrochloride

CAS: 2673-19-0

Formula: C9H18ClNO4

SMILES: Cl.COC(=O)[C@@H](N)CC(=O)OC(C)(C)C

IUPAC: 4-tert-butyl 1-methyl (2S)-2-aminobutanedioate hydrochloride

InChI: InChI=1S/C9H17NO4.ClH/c1-9(2,3)14-7(11)5-6(10)8(12)13-4;/h6H,5,10H2,1-4H3;1H/t6-;/m0./s1

Composition: C (45.10%), H (7.57%), Cl (14.79%), N (5.84%), O (26.70%)

Molar Mass: 239.7

Atom Count: 33

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	239.0924358
Formal Charge	0
FSP3	0.78
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	SFYKWYAIJZEDNG-RGMNGODLSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.88
Topological Polar Surface Area	78.62
Polarizability	20.42
Ring Count	0
Rotatable Bond Count	6

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