2-azabicyclo[3.1.1]heptane-1-carboxylic acid hydrochloride

2-azabicyclo[3.1.1]heptane-1-carboxylic acid hydrochloride

CAS: 1172802-41-3

Formula: C7H12ClNO2

SMILES: Cl.OC(=O)C12CC(C1)CCN2

IUPAC: 2-azabicyclo[3.1.1]heptane-1-carboxylic acid hydrochloride

InChI: InChI=1S/C7H11NO2.ClH/c9-6(10)7-3-5(4-7)1-2-8-7;/h5,8H,1-4H2,(H,9,10);1H

Composition: C (47.33%), H (6.81%), Cl (19.96%), N (7.89%), O (18.01%)

Molar Mass: 177.63

Atom Count: 23

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	177.0556563
Formal Charge	0
FSP3	0.86
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	FYBPALMIVHGTAV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	35.45
Topological Polar Surface Area	49.33
Polarizability	14.24
Ring Count	2
Rotatable Bond Count	1

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