N-Butyl-N'-hydroxyurea
C₅H₁₂N₂O₂·132.160 g/mol·CID 79761
IUPAC: 1-butyl-3-hydroxyurea
Also known as: Urea, N-butyl-N'-hydroxy-, 5681-57-2, N-hydroxy-N'-butyl urea, N-hydroxy-N'-butyl-urea, CHEMBL331265 (+4 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
132.160g/mol
Exact Mass
132.089878Da
Monoisotopic Mass
132.089878Da
XLogP
0.3
Polar Surface Area
61.4Ų
Complexity
85
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
2
Rotatable Bonds
3
Heavy Atoms
9
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 132.2 g/mol
MW ≤ 500
✓ 0.3
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 2
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C5H12N2O2/c1-2-3-4-6-5(8)7-9/h9H,2-4H2,1H3,(H2,6,7,8)
Isomers8 compounds with formula C₅H₁₂N₂O₂
(2S)-2,5-diaminopentanoic acid
CID 6262 · 132.2 g/mol
(2R)-2,5-diaminopentanoic acid
CID 71082 · 132.2 g/mol
2,5-diaminopentanoic acid
CID 389 · 132.2 g/mol
(2S)-2,5-diaminopentanoate;hydron
CID 88747248 · 132.2 g/mol
3-(2-hydroxyethylamino)propanamide
CID 117919 · 132.2 g/mol
tert-butyl N-aminocarbamate
CID 70091 · 132.2 g/mol
(2R)-2-amino-N-hydroxy-3-methylbutanamide
CID 444599 · 132.2 g/mol
N-ethyl-N-(1-methoxyethyl)nitrous amide
CID 43774 · 132.2 g/mol