N2-(3-Carboxy-2-hydroxy-1-oxopropyl)arginine
C₁₀H₁₈N₄O₆·290.270 g/mol·CID 86095561
IUPAC: 2-[(3-carboxy-2-hydroxypropanoyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Also known as: N2-(2-Hydroxysuccinoyl)arginine, CHEBI:174763, 2-[(3-carboxy-2-hydroxypropanoyl)amino]-5-(diaminomethylideneamino)pentanoic acid
Molecular Structure
Molecular Propertiesmass · H-bonds · stereo
Molecular Weight
290.270g/mol
Exact Mass
290.122634Da
Monoisotopic Mass
290.122634Da
XLogP
-2.8
Polar Surface Area
188.0Ų
Complexity
393
Formal Charge
0
H-Bond Donors
6
H-Bond Acceptors
7
Rotatable Bonds
9
Heavy Atoms
20
Stereo Centers
0
Bond Stereo
0
Drug-Likeness (Lipinski's Rule of Five)
✓ 290.3 g/mol
MW ≤ 500
✓ -2.8
LogP ≤ 5
✗ 6
H-bond donors ≤ 5
✓ 7
H-bond acceptors ≤ 10
1 violation — may still have acceptable bioavailability
Chemical IdentifiersSMILES · InChI
InChI
InChI=1S/C10H18N4O6/c11-10(12)13-3-1-2-5(9(19)20)14-8(18)6(15)4-7(16)17/h5-6,15H,1-4H2,(H,14,18)(H,16,17)(H,19,20)(H4,11,12,13)
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-[2-(1-carboxyethylcarbamoylamino)ethylcarbamoylamino]propanoic acid
CID 3774706 · 290.3 g/mol