ethyl 3-[(pyridin-3-ylmethyl)amino]propanoate

ethyl 3-[(pyridin-3-ylmethyl)amino]propanoate

CAS: 1040688-05-8

Formula: C11H16N2O2

SMILES: CCOC(=O)CCNCC1=CC=CN=C1

IUPAC: ethyl 3-{[(pyridin-3-yl)methyl]amino}propanoate

InChI: InChI=1S/C11H16N2O2/c1-2-15-11(14)5-7-13-9-10-4-3-6-12-8-10/h3-4,6,8,13H,2,5,7,9H2,1H3

Composition: C (63.44%), H (7.74%), N (13.45%), O (15.36%)

Molar Mass: 208.261

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	208.121177763
Formal Charge	0
FSP3	0.45
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	PASHPBRYVXNGTI-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.45
Topological Polar Surface Area	51.22
Polarizability	22.77
Ring Count	1
Rotatable Bond Count	7

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