1-methylpyrrolidine-3-carboxylic acid hydrochloride

1-methylpyrrolidine-3-carboxylic acid hydrochloride

CAS: 50585-87-0

Formula: C6H12ClNO2

SMILES: Cl.CN1CCC(C1)C(O)=O

IUPAC: 1-methylpyrrolidine-3-carboxylic acid hydrochloride

InChI: InChI=1/C6H11NO2.ClH/c1-7-3-2-5(4-7)6(8)9;/h5H,2-4H2,1H3,(H,8,9);1H

Composition: C (43.51%), H (7.30%), Cl (21.40%), N (8.46%), O (19.32%)

Molar Mass: 165.62

Atom Count: 22

Heavy Atom Count: 10

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	165.0556563
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	JFWLEGORBDKYIG-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	33.61
Topological Polar Surface Area	40.54
Polarizability	13.12
Ring Count	1
Rotatable Bond Count	1

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