5-(methoxycarbonyl)piperidine-3-carboxylic acid

5-(methoxycarbonyl)piperidine-3-carboxylic acid

CAS: 748113-39-5

Formula: C8H13NO4

SMILES: COC(=O)C1CNCC(C1)C(O)=O

IUPAC: 5-(methoxycarbonyl)piperidine-3-carboxylic acid

InChI: InChI=1/C8H13NO4/c1-13-8(12)6-2-5(7(10)11)3-9-4-6/h5-6,9H,2-4H2,1H3,(H,10,11)

Composition: C (51.33%), H (7.00%), N (7.48%), O (34.19%)

Molar Mass: 187.195

Atom Count: 26

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	187.084457903
Formal Charge	0
FSP3	0.75
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	OGVLHCBDMWXAEL-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.78
Topological Polar Surface Area	75.63
Polarizability	17.66
Ring Count	1
Rotatable Bond Count	3

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