7685-44-1
C₅H₉NO₂·115.130 g/mol·CID 14044
IUPAC: 2-aminopent-4-enoic acid
Also known as: 2-Amino-4-pentenoic acid, ALLYLGLYCINE, 4-Pentenoic acid, 2-amino-, DTXSID701313217, RefChem:110909 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
115.130g/mol
Exact Mass
115.063329Da
Monoisotopic Mass
115.063329Da
XLogP
-2.3
Polar Surface Area
63.3Ų
Complexity
101
Formal Charge
0
H-Bond Donors
2
H-Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 115.1 g/mol
MW ≤ 500
✓ -2.3
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 irritationH317May cause an allergic skin reactionH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Isomers8 compounds with formula C₅H₉NO₂
(2S)-pyrrolidine-2-carboxylic acid
CID 145742 · 115.1 g/mol
pyrrolidine-2-carboxylic acid
CID 614 · 115.1 g/mol
(2R)-pyrrolidine-2-carboxylic acid
CID 8988 · 115.1 g/mol
(2S)-pyrrolidin-1-ium-2-carboxylate
CID 6971047 · 115.1 g/mol
morpholine-4-carbaldehyde
CID 20417 · 115.1 g/mol
1-aminocyclobutane-1-carboxylic acid
CID 89643 · 115.1 g/mol
methyl (Z)-3-aminobut-2-enoate
CID 643918 · 115.1 g/mol
N-(hydroxymethyl)-2-methylprop-2-enamide
CID 70208 · 115.1 g/mol