3-amino-4-ethylhexanoic acid

3-amino-4-ethylhexanoic acid

CAS: 204191-42-4

Formula: C8H17NO2

SMILES: CCC(CC)C(N)CC(O)=O

IUPAC: 3-amino-4-ethylhexanoic acid

InChI: InChI=1/C8H17NO2/c1-3-6(4-2)7(9)5-8(10)11/h6-7H,3-5,9H2,1-2H3,(H,10,11)

Composition: C (60.35%), H (10.76%), N (8.80%), O (20.10%)

Molar Mass: 159.229

Atom Count: 28

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	159.125928791
Formal Charge	0
FSP3	0.87
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	HOPWNSZDCHOHRY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.32
Topological Polar Surface Area	63.32
Polarizability	17.51
Ring Count	0
Rotatable Bond Count	5

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