1-methylpiperazine-2-carboxylic acid

1-methylpiperazine-2-carboxylic acid

CAS: 1246609-06-2

Formula: C6H12N2O2

SMILES: CN1CCNCC1C(O)=O

IUPAC: 1-methylpiperazine-2-carboxylic acid

InChI: InChI=1/C6H12N2O2/c1-8-3-2-7-4-5(8)6(9)10/h5,7H,2-4H2,1H3,(H,9,10)

Composition: C (49.99%), H (8.39%), N (19.43%), O (22.19%)

Molar Mass: 144.174

Atom Count: 22

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	144.089877634
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	CCOAGJXNPXLMGI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	36.57
Topological Polar Surface Area	52.57
Polarizability	14.65
Ring Count	1
Rotatable Bond Count	1

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