6-aminohexanoic acid
C₆H₁₃NO₂·131.170 g/mol·CID 564
Also known as: 6-Aminocaproic acid, aminocaproic acid, 60-32-2, Hexanoic acid, 6-amino-, Epsilcapramin (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
131.170g/mol
Exact Mass
131.094629Da
Monoisotopic Mass
131.094629Da
XLogP
-3.0
Polar Surface Area
63.3Ų
Complexity
83
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
5
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 131.2 g/mol
MW ≤ 500
✓ -3.0
LogP ≤ 5
✓ 2
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₆H₁₃NO₂
(2S)-2-amino-4-methylpentanoic acid
CID 6106 · 131.2 g/mol
(2S,3S)-2-amino-3-methylpentanoic acid
CID 6306 · 131.2 g/mol
(2R)-2-amino-4-methylpentanoic acid
CID 439524 · 131.2 g/mol
(2S,3R)-2-amino-3-methylpentanoic acid
CID 99288 · 131.2 g/mol
(2S)-2-aminohexanoic acid
CID 21236 · 131.2 g/mol
2-amino-3-methylpentanoic acid
CID 791 · 131.2 g/mol
2-morpholin-4-ylethanol
CID 61163 · 131.2 g/mol
(2S)-2-azaniumyl-4-methylpentanoate
CID 7045798 · 131.2 g/mol