CHEMBL1164946
C₁₀H₁₈N₄O₆·290.270 g/mol·CID 3774706
IUPAC: 2-[2-(1-carboxyethylcarbamoylamino)ethylcarbamoylamino]propanoic acid
Also known as: 2,11-dimethyl-4,9-dioxo-3,5,8,10-tetraazadodecane-1,12-dioic acid, BDBM50320689, STK530204, AKOS005463003, ST000380 (+2 more)
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
290.270g/mol
Exact Mass
290.122634Da
Monoisotopic Mass
290.122634Da
XLogP
-1.5
Polar Surface Area
157.0Ų
Complexity
350
Formal Charge
0
H-Bond Donors
6
H-Bond Acceptors
6
Rotatable Bonds
7
Heavy Atoms
20
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 290.3 g/mol
MW ≤ 500
✓ -1.5
LogP ≤ 5
✗ 6
H-bond donors ≤ 5
✓ 6
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C10H18N4O6/c1-5(7(15)16)13-9(19)11-3-4-12-10(20)14-6(2)8(17)18/h5-6H,3-4H2,1-2H3,(H,15,16)(H,17,18)(H2,11,13,19)(H2,12,14,20)
Isomers8 compounds with formula C₁₀H₁₈N₄O₆
(2S)-2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid
CID 16950 · 290.3 g/mol
2-[[N'-(4-amino-4-carboxybutyl)carbamimidoyl]amino]butanedioic acid
CID 828 · 290.3 g/mol
(2S)-2-[[amino-[[(4S)-4-amino-4-carboxybutyl]amino]methylidene]amino]butanedioic acid
CID 136664755 · 290.3 g/mol
2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid
CID 439998 · 290.3 g/mol
(2R)-2-[[N'-[(4S)-4-amino-4-carboxybutyl]carbamimidoyl]amino]butanedioic acid
CID 448718 · 290.3 g/mol
N-[(2R,3R,4R,5S,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 11608979 · 290.3 g/mol
N-[(2S,3R,4R,5S,6R)-2-(2-azidoethoxy)-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 97182181 · 290.3 g/mol
2-[(3-carboxy-2-hydroxypropanoyl)amino]-5-(diaminomethylideneamino)pentanoic acid
CID 86095561 · 290.3 g/mol