2,6-diaminoheptanoic acid

2,6-diaminoheptanoic acid

CAS: 583-93-7

Formula: C7H16N2O2

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

IUPAC: 2,6-diaminoheptanoic acid

InChI: InChI=1/C7H16N2O2/c1-5(8)3-2-4-6(9)7(10)11/h5-6H,2-4,8-9H2,1H3,(H,10,11)

Composition: C (52.48%), H (10.07%), N (17.49%), O (19.97%)

Molar Mass: 160.217

Atom Count: 27

Heavy Atom Count: 11

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	160.121177763
Formal Charge	0
FSP3	0.86
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	3
InChIKey	SHGBCLVCOJGQDM-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	42.23
Topological Polar Surface Area	89.34
Polarizability	17.2
Ring Count	0
Rotatable Bond Count	5

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