SCHEMBL11234899
C₅H₁₂N₂O₂·132.160 g/mol·CID 88747248
IUPAC: (2S)-2,5-diaminopentanoate;hydron
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
132.160g/mol
Exact Mass
132.089878Da
Monoisotopic Mass
132.089878Da
XLogP
—
Polar Surface Area
92.2Ų
Complexity
89
Formal Charge
0
H-Bond Donors
3
H-Bond Acceptors
4
Rotatable Bonds
3
Heavy Atoms
9
Stereo Centers
1
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 132.2 g/mol
MW ≤ 500
? —
LogP ≤ 5
✓ 3
H-bond donors ≤ 5
✓ 4
H-bond acceptors ≤ 10
Passes all rules — good oral bioavailability predicted
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C5H12N2O2/c6-3-1-2-4(7)5(8)9/h4H,1-3,6-7H2,(H,8,9)/t4-/m0/s1
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
tert-butyl N-aminocarbamate
CID 70091 · 132.2 g/mol
3-(2-hydroxyethylamino)propanamide
CID 117919 · 132.2 g/mol
N-ethyl-N-(1-methoxyethyl)nitrous amide
CID 43774 · 132.2 g/mol
2-hydrazinyl-3-methylbutanoic acid
CID 29841 · 132.2 g/mol
5-hydroxypentanehydrazide
CID 225567 · 132.2 g/mol