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

C14H14ClN3O5 — CID 119350473

IUPAC2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H14ClN3O5/c15-8-1-3-9(4-2-8)18-13(22)10(17-14(18)23)5-6-11(19)16-7-12(20)21/h1-4,10H,5-7H2,(H,16,19)(H,17,23)(H,20,21)
InChIKeyGVTUFVDWQPQBSF-UHFFFAOYSA-N
MW339.74 g/mol
LogP0.75
Rot. Bonds6

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

2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid (PubChem CID 119350473) has the molecular formula C14H14ClN3O5 and a molecular weight of 339.74 g/mol. Its IUPAC name is 2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid.

Molecular Properties

Compound Name2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
PubChem CID119350473
Molecular FormulaC14H14ClN3O5
Molecular Weight339.74 g/mol
Exact Mass339.06
IUPAC Name2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid
SMILESO=C(O)CNC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O
InChIInChI=1S/C14H14ClN3O5/c15-8-1-3-9(4-2-8)18-13(22)10(17-14(18)23)5-6-11(19)16-7-12(20)21/h1-4,10H,5-7H2,(H,16,19)(H,17,23)(H,20,21)
InChIKeyGVTUFVDWQPQBSF-UHFFFAOYSA-N
XLogP0.75
TPSA115.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.74
LogP ≤ 50.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid?
The IUPAC name of 2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid (CID 119350473) is 2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid.
What is the SMILES notation for 2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid?
The canonical SMILES for 2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid is O=C(O)CNC(=O)CCC1NC(=O)N(c2ccc(Cl)cc2)C1=O.
What is the InChIKey of 2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid?
The InChIKey is GVTUFVDWQPQBSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O5/c15-8-1-3-9(4-2-8)18-13(22)10(17-14(18)23)5-6-11(19)16-7-12(20)21/h1-4,10H,5-7H2,(H,16,19)(H,17,23)(H,20,21).
What are the key properties of 2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid?
2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid has a molecular weight of 339.74 g/mol, XLogP of 0.75, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-(4-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]propanoylamino]acetic acid is sourced from PubChem (CID 119350473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).