2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

C8H13N3O4 — CID 21357442

IUPAC2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESNCCCC1NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C8H13N3O4/c9-3-1-2-5-7(14)11(4-6(12)13)8(15)10-5/h5H,1-4,9H2,(H,10,15)(H,12,13)
InChIKeyLFCBZGXALKUTKD-UHFFFAOYSA-N
MW215.21 g/mol
LogP-1.27
Rot. Bonds5

About 2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 21357442) has the molecular formula C8H13N3O4 and a molecular weight of 215.21 g/mol. Its IUPAC name is 2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID21357442
Molecular FormulaC8H13N3O4
Molecular Weight215.21 g/mol
Exact Mass215.09
IUPAC Name2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESNCCCC1NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C8H13N3O4/c9-3-1-2-5-7(14)11(4-6(12)13)8(15)10-5/h5H,1-4,9H2,(H,10,15)(H,12,13)
InChIKeyLFCBZGXALKUTKD-UHFFFAOYSA-N
XLogP-1.27
TPSA112.73 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 5-1.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-4-(aminomethyl)-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 59953083
2-[2,5-dioxo-4-[3-(pyrimidin-2-ylamino)propyl]imidazolidin-1-yl]acetic acid
CID 21357426
2-[(4S)-1-(2-ethoxy-2-oxoethyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 134107553
butyl 2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetate
CID 54942288
2-(2,5-dioxo-4-propylimidazolidin-1-yl)acetohydrazide
CID 63577727
3-[2-(aminomethyl)prop-2-enyl]-5-propylimidazolidine-2,4-dione
CID 103071713
ethyl 3-[1-[4-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]butyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11712165
3-(2,5-dioxo-1-propylimidazolidin-4-yl)propanoic acid
CID 6486729
ethyl 3-[1-[12-[4-(3-ethoxy-3-oxopropyl)-2,5-dioxoimidazolidin-1-yl]dodecyl]-2,5-dioxoimidazolidin-4-yl]propanoate
CID 11642629
3-(2-cyclopropyl-2-oxoethyl)-5-propylimidazolidine-2,4-dione
CID 63912854
3-[(2S,5S)-5-(4-aminobutyl)-3,6-dioxopiperazin-2-yl]propanoic acid
CID 12071938
(5R)-3-(2-oxopropyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2598130

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 21357442) is 2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is NCCCC1NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is LFCBZGXALKUTKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O4/c9-3-1-2-5-7(14)11(4-6(12)13)8(15)10-5/h5H,1-4,9H2,(H,10,15)(H,12,13).
What are the key properties of 2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 215.21 g/mol, XLogP of -1.27, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-aminopropyl)-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 21357442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).