1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylic acid

1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylic acid

CAS: 1142209-94-6

Formula: C13H18N2O3

SMILES: CC1=CC(C)=C(N1)C(=O)N1CCCC(C1)C(O)=O

IUPAC: 1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidine-3-carboxylic acid

InChI: InChI=1/C13H18N2O3/c1-8-6-9(2)14-11(8)12(16)15-5-3-4-10(7-15)13(17)18/h6,10,14H,3-5,7H2,1-2H3,(H,17,18)

Composition: C (62.38%), H (7.25%), N (11.19%), O (19.18%)

Molar Mass: 250.298

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	250.131742448
Formal Charge	0
FSP3	0.54
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	LTUAQLZDZOZVEL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.98
Topological Polar Surface Area	73.4
Polarizability	25.28
Ring Count	2
Rotatable Bond Count	2

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