1-(2-hydroxyethyl)piperidine-4-carboxylic acid hydrate

1-(2-hydroxyethyl)piperidine-4-carboxylic acid hydrate

CAS: 1609402-97-2

Formula: C8H17NO4

SMILES: O.OCCN1CCC(CC1)C(O)=O

IUPAC: 1-(2-hydroxyethyl)piperidine-4-carboxylic acid hydrate

InChI: InChI=1S/C8H15NO3.H2O/c10-6-5-9-3-1-7(2-4-9)8(11)12;/h7,10H,1-6H2,(H,11,12);1H2

Composition: C (50.25%), H (8.96%), N (7.32%), O (33.47%)

Molar Mass: 191.227

Atom Count: 30

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	191.115758031
Formal Charge	0
FSP3	0.87
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	MQRQLOJKGUSYQK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.66
Topological Polar Surface Area	60.77
Polarizability	17.44
Ring Count	1
Rotatable Bond Count	3

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