2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid

C6H9N3O4 — CID 3035628

IUPAC2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid
SMILESNC(CN1CC(=O)NC1=O)C(=O)O
InChIInChI=1S/C6H9N3O4/c7-3(5(11)12)1-9-2-4(10)8-6(9)13/h3H,1-2,7H2,(H,11,12)(H,8,10,13)
InChIKeyUROMBTYUGMWQMT-UHFFFAOYSA-N
MW187.16 g/mol
LogP-2.05
Rot. Bonds3

About 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid

2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid (PubChem CID 3035628) has the molecular formula C6H9N3O4 and a molecular weight of 187.16 g/mol. Its IUPAC name is 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid.

Molecular Properties

Compound Name2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid
PubChem CID3035628
Molecular FormulaC6H9N3O4
Molecular Weight187.16 g/mol
Exact Mass187.06
IUPAC Name2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid
SMILESNC(CN1CC(=O)NC1=O)C(=O)O
InChIInChI=1S/C6H9N3O4/c7-3(5(11)12)1-9-2-4(10)8-6(9)13/h3H,1-2,7H2,(H,11,12)(H,8,10,13)
InChIKeyUROMBTYUGMWQMT-UHFFFAOYSA-N
XLogP-2.05
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.16
LogP ≤ 5-2.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Quisqualic Acid
CID 40539
2-(4,4-Dimethyl-2,5-dioxoimidazolidin-1-yl)acetic acid
CID 2386010
2-Oxo-4-imidazolinecarboxylic acid
CID 89477
2-Amino-3-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)propanoic acid
CID 1209
2-Imidazolidine-4-carboxylic acid
CID 162033
3-(2-Amino-propionyl)-1-methyl-2-oxo-imidazolidine-4-carboxylic acid
CID 44331737
Hydantoinpropionic acid
CID 69303592
[(1S)-1-carboxy-2-(3,5-dioxo-1,2,4-oxadiazolidin-2-yl)ethyl]azanium
CID 78224648
(4R)-2-oxoimidazolidine-4-carboxylic acid
CID 7003745
1-Methyl-2-oxoimidazolidine-4-carboxylic acid
CID 13852999
3-Methyl-2-oxoimidazolidine-4-carboxylic acid
CID 55300151
3-[(Oxalocarbamoyl)amino]-L-alanine
CID 14632982

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid?
The IUPAC name of 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid (CID 3035628) is 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid.
What is the SMILES notation for 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid?
The canonical SMILES for 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid is NC(CN1CC(=O)NC1=O)C(=O)O.
What is the InChIKey of 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid?
The InChIKey is UROMBTYUGMWQMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O4/c7-3(5(11)12)1-9-2-4(10)8-6(9)13/h3H,1-2,7H2,(H,11,12)(H,8,10,13).
What are the key properties of 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid?
2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid has a molecular weight of 187.16 g/mol, XLogP of -2.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2,4-dioxoimidazolidin-1-yl)propanoic acid is sourced from PubChem (CID 3035628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).