1,4-diethyl 2-aminobutanedioate hydrochloride

1,4-diethyl 2-aminobutanedioate hydrochloride

CAS: 16115-68-7

Formula: C8H16ClNO4

SMILES: Cl.CCOC(=O)CC(N)C(=O)OCC

IUPAC: 1,4-diethyl 2-aminobutanedioate hydrochloride

InChI: InChI=1/C8H15NO4.ClH/c1-3-12-7(10)5-6(9)8(11)13-4-2;/h6H,3-5,9H2,1-2H3;1H

Composition: C (42.58%), H (7.15%), Cl (15.71%), N (6.21%), O (28.36%)

Molar Mass: 225.67

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	225.0767857
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AJOXZAAREAYBQR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.57
Topological Polar Surface Area	78.62
Polarizability	18.6
Ring Count	0
Rotatable Bond Count	7

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