3-Ureidopropionic acid
C₄H₈N₂O₃·132.120 g/mol·CID 111
IUPAC: 3-(carbamoylamino)propanoic acid
Also known as: 462-88-4, N-Carbamoyl-beta-alanine, 3-ureidopropionate, beta-Ureidopropionic acid, N-(aminocarbonyl)-beta-alanine (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
132.120g/mol
Exact Mass
132.053492Da
Monoisotopic Mass
132.053492Da
XLogP
-1.5
Polar Surface Area
92.4Ų
Complexity
123
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 132.1 g/mol
MW ≤ 500
✓ -1.5
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Warning
Hazards
H302Harmful if swallowedH315Causes skin irritationH319Causes serious eye irritationH335May cause respiratory irritation
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C4H8N2O3/c5-4(9)6-2-1-3(7)8/h1-2H2,(H,7,8)(H3,5,6,9)
Isomers8 compounds with formula C₄H₈N₂O₃
(2S)-2,4-diamino-4-oxobutanoic acid
CID 6267 · 132.1 g/mol
(Z)-acetyloxymethylimino-methyl-oxidoazanium
CID 5363199 · 132.1 g/mol
2-[(2-aminoacetyl)amino]acetic acid
CID 11163 · 132.1 g/mol
ethyl N-methyl-N-nitrosocarbamate
CID 12001 · 132.1 g/mol
[methyl(nitroso)amino]methyl acetate
CID 42016 · 132.1 g/mol
2,4-diamino-4-oxobutanoic acid
CID 236 · 132.1 g/mol
2-[(2-azaniumylacetyl)amino]acetate
CID 1548897 · 132.1 g/mol
(2R)-2,4-diamino-4-oxobutanoic acid
CID 439600 · 132.1 g/mol