(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoic acid

(2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoic acid

CAS: 192725-50-1

Formula: C9H16N2O3

SMILES: CC(C)[C@H](N1CCCNC1=O)C(O)=O

IUPAC: (2S)-3-methyl-2-(2-oxo-1,3-diazinan-1-yl)butanoic acid

InChI: InChI=1S/C9H16N2O3/c1-6(2)7(8(12)13)11-5-3-4-10-9(11)14/h6-7H,3-5H2,1-2H3,(H,10,14)(H,12,13)/t7-/m0/s1

Composition: C (53.99%), H (8.05%), N (13.99%), O (23.97%)

Molar Mass: 200.238

Atom Count: 30

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	200.116092383
Formal Charge	0
FSP3	0.78
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	AFGBRTKUTJQHIP-ZETCQYMHSA-N
Lipinski's Rule of Five	1
Molar Refractivity	50.3
Topological Polar Surface Area	69.64
Polarizability	19.52
Ring Count	1
Rotatable Bond Count	3

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