1,3-diethyl 2-acetamidopropanedioate

1,3-diethyl 2-acetamidopropanedioate

CAS: 1068-90-2

Formula: C9H15NO5

SMILES: CCOC(=O)C(NC(C)=O)C(=O)OCC

IUPAC: 1,3-diethyl 2-acetamidopropanedioate

InChI: InChI=1S/C9H15NO5/c1-4-14-8(12)7(10-6(3)11)9(13)15-5-2/h7H,4-5H2,1-3H3,(H,10,11)

Composition: C (49.76%), H (6.96%), N (6.45%), O (36.83%)

Molar Mass: 217.221

Atom Count: 30

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	217.095022587
Formal Charge	0
FSP3	0.67
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	ISOLMABRZPQKOV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.46
Topological Polar Surface Area	81.7
Polarizability	20.2
Ring Count	0
Rotatable Bond Count	7

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