2-(4-methylpiperazin-1-yl)propanoic acid

2-(4-methylpiperazin-1-yl)propanoic acid

CAS: 938146-50-0

Formula: C8H16N2O2

SMILES: CC(N1CCN(C)CC1)C(O)=O

IUPAC: 2-(4-methylpiperazin-1-yl)propanoic acid

InChI: InChI=1/C8H16N2O2/c1-7(8(11)12)10-5-3-9(2)4-6-10/h7H,3-6H2,1-2H3,(H,11,12)

Composition: C (55.79%), H (9.36%), N (16.27%), O (18.58%)

Molar Mass: 172.228

Atom Count: 28

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	172.121177763
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	LZRLSYGKEOASIP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.62
Topological Polar Surface Area	43.78
Polarizability	18.31
Ring Count	1
Rotatable Bond Count	2

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