(3S)-3-(hydroxymethyl)-1-methylpiperazine-2,5-dione

(3S)-3-(hydroxymethyl)-1-methylpiperazine-2,5-dione

CAS: 155225-26-6

Formula: C6H10N2O3

SMILES: CN1CC(=O)N[C@@H](CO)C1=O

IUPAC: (3S)-3-(hydroxymethyl)-1-methylpiperazine-2,5-dione

InChI: InChI=1S/C6H10N2O3/c1-8-2-5(10)7-4(3-9)6(8)11/h4,9H,2-3H2,1H3,(H,7,10)/t4-/m0/s1

Composition: C (45.57%), H (6.37%), N (17.71%), O (30.35%)

Molar Mass: 158.157

Atom Count: 21

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	158.06914219
Formal Charge	0
FSP3	0.67
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	PXFSVLTWGCOYRV-BYPYZUCNSA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.54
Topological Polar Surface Area	69.64
Polarizability	14.24
Ring Count	1
Rotatable Bond Count	1

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