2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid

C8H11N3O6 — CID 43357583

IUPAC2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CN1C(=O)CNC1=O)NC(CO)C(=O)O
InChIInChI=1S/C8H11N3O6/c12-3-4(7(15)16)10-5(13)2-11-6(14)1-9-8(11)17/h4,12H,1-3H2,(H,9,17)(H,10,13)(H,15,16)
InChIKeyLOLAPFRYGUIZIJ-UHFFFAOYSA-N
MW245.19 g/mol
LogP-2.90
Rot. Bonds5

About 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid

2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid (PubChem CID 43357583) has the molecular formula C8H11N3O6 and a molecular weight of 245.19 g/mol. Its IUPAC name is 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid.

Molecular Properties

Compound Name2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
PubChem CID43357583
Molecular FormulaC8H11N3O6
Molecular Weight245.19 g/mol
Exact Mass245.06
IUPAC Name2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid
SMILESO=C(CN1C(=O)CNC1=O)NC(CO)C(=O)O
InChIInChI=1S/C8H11N3O6/c12-3-4(7(15)16)10-5(13)2-11-6(14)1-9-8(11)17/h4,12H,1-3H2,(H,9,17)(H,10,13)(H,15,16)
InChIKeyLOLAPFRYGUIZIJ-UHFFFAOYSA-N
XLogP-2.90
TPSA136.04 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 5-2.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(2S)-3-hydroxy-2-(pyrrolidine-1-carbonylamino)propanoic acid
CID 61188583
2-(2,5-Dioxoimidazolidin-1-yl)propanoic acid
CID 336133
Hydantoin-3-hydroxy-propionic acid
CID 129847162
3-n-Butyl-5-hydroxymethylhydantoin
CID 12942449
2-(2,4-Dioxoimidazolidin-1-yl)propanoic acid
CID 18544585
2-[(4S)-4-(hydroxymethyl)-5-oxoimidazolidin-2-yl]propanoic acid
CID 18647146
1,5-Bis(hydroxymethyl)imidazolidine-2,4-dione
CID 22314728
1-(1-Carboxyethyl)-4-oxoimidazolidine-2-carboxylic acid
CID 57322820
(5S)-5-(hydroxymethyl)-3-methylimidazolidine-2,4-dione
CID 59157673
(5R)-5-(hydroxymethyl)-3-methylimidazolidine-2,4-dione
CID 59418905
5-(Hydroxymethyl)-3-methylimidazolidine-2,4-dione
CID 59688991
(2S)-2-(2-aminoethylcarbamoylamino)-3-hydroxypropanoic acid
CID 61403282

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid?
The IUPAC name of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid (CID 43357583) is 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid.
What is the SMILES notation for 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid?
The canonical SMILES for 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid is O=C(CN1C(=O)CNC1=O)NC(CO)C(=O)O.
What is the InChIKey of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid?
The InChIKey is LOLAPFRYGUIZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O6/c12-3-4(7(15)16)10-5(13)2-11-6(14)1-9-8(11)17/h4,12H,1-3H2,(H,9,17)(H,10,13)(H,15,16).
What are the key properties of 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid?
2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid has a molecular weight of 245.19 g/mol, XLogP of -2.90, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-hydroxypropanoic acid is sourced from PubChem (CID 43357583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).