Methyl 3-aminocrotonate
C₅H₉NO₂·115.130 g/mol·CID 643918
IUPAC: methyl (Z)-3-aminobut-2-enoate
Also known as: DTXCID7030270, DTXSID7051715, RefChem:815250, 14205-39-1, 21731-17-9 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
115.130g/mol
Exact Mass
115.063329Da
Monoisotopic Mass
115.063329Da
XLogP
0.6
Polar Surface Area
52.3Ų
Complexity
118
Formal Charge
0
H-Bond Donors
1
H-Bond Acceptors
3
Rotatable Bonds
2
Heavy Atoms
8
Stereo Centers
0
Bond Stereo
1
Drug-Likeness (Lipinski's Rule of Five)
✓ 115.1 g/mol
MW ≤ 500
✓ 0.6
LogP ≤ 5
✓ 1
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H302Harmful if swallowedH317May cause an allergic skin reactionH318Causes serious eye damageH319Causes serious eye irritationH330Fatal if inhaled
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
2-aminopent-4-enoic acid
CID 14044 · 115.1 g/mol
N-(hydroxymethyl)-2-methylprop-2-enamide
CID 70208 · 115.1 g/mol