beta-Ureidoisobutyric acid
C₅H₁₀N₂O₃·146.140 g/mol·CID 160663
IUPAC: 3-(carbamoylamino)-2-methylpropanoic acid
Also known as: 2905-86-4, beta-Uba, DTXSID80863054, RefChem:567987, DTXCID40811733 (+14 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
146.140g/mol
Exact Mass
146.069142Da
Monoisotopic Mass
146.069142Da
XLogP
-1.0
Polar Surface Area
92.4Ų
Complexity
146
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
3
Rotatable Bonds
3
Heavy Atoms
10
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 146.1 g/mol
MW ≤ 500
✓ -1.0
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 3
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
GHS Hazard Classification
Danger
Hazards
H318Causes serious eye damage
Source: PubChem GHS Classification. Always consult the SDS for handling.
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C5H10N2O3/c1-3(4(8)9)2-7-5(6)10/h3H,2H2,1H3,(H,8,9)(H3,6,7,10)
Isomers8 compounds with formula C₅H₁₀N₂O₃
(2S)-2,5-diamino-5-oxopentanoic acid
CID 5961 · 146.1 g/mol
2,5-diamino-5-oxopentanoic acid
CID 738 · 146.1 g/mol
(2R)-2,5-diamino-5-oxopentanoic acid
CID 145815 · 146.1 g/mol
ethyl N-ethyl-N-nitrosocarbamate
CID 11977 · 146.1 g/mol
2-[(2-aminoacetyl)-methylamino]acetic acid
CID 93131 · 146.1 g/mol
(2S)-5-amino-2-azaniumyl-5-oxopentanoate
CID 6992086 · 146.1 g/mol
2-[[(2S)-2-aminopropanoyl]amino]acetic acid
CID 6998029 · 146.1 g/mol
1,3-bis(hydroxymethyl)imidazolidin-2-one
CID 8704 · 146.1 g/mol