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3-[(2S)-3,6-dioxopiperazin-2-yl]propanamide

3-[(2S)-3,6-dioxopiperazin-2-yl]propanamide

CAS: 52662-00-7

Formula: C7H11N3O3

SMILES: NC(=O)CC[C@@H]1NC(=O)CNC1=O

IUPAC: 3-[(2S)-3,6-dioxopiperazin-2-yl]propanamide

InChI: InChI=1S/C7H11N3O3/c8-5(11)2-1-4-7(13)9-3-6(12)10-4/h4H,1-3H2,(H2,8,11)(H,9,13)(H,10,12)/t4-/m0/s1

Composition: C (45.40%), H (5.99%), N (22.69%), O (25.92%)

Molar Mass: 185.183

Atom Count: 24

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 1
Exact Mass 185.080041226
Formal Charge 0
FSP3 0.57
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 3
InChIKey PWADXPITHGKDSY-BYPYZUCNSA-N
Lipinski's Rule of Five 1
Molar Refractivity 42.71
Topological Polar Surface Area 101.29
Polarizability 16.69
Ring Count 1
Rotatable Bond Count 3

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