methyl 2-amino-5-methyl-3-oxohexanoate

methyl 2-amino-5-methyl-3-oxohexanoate

CAS: 54011-39-1

Formula: C8H15NO3

SMILES: COC(=O)C(N)C(=O)CC(C)C

IUPAC: methyl 2-amino-5-methyl-3-oxohexanoate

InChI: InChI=1/C8H15NO3/c1-5(2)4-6(10)7(9)8(11)12-3/h5,7H,4,9H2,1-3H3

Composition: C (55.47%), H (8.73%), N (8.09%), O (27.71%)

Molar Mass: 173.212

Atom Count: 27

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	173.105193347
Formal Charge	0
FSP3	0.75
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	AEUWYJYBFZJNDG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.08
Topological Polar Surface Area	69.39
Polarizability	17.86
Ring Count	0
Rotatable Bond Count	5

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