3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid

C13H13ClN2O4 — CID 125284795

IUPAC3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
SMILESO=C(O)CC[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C13H13ClN2O4/c14-9-3-1-2-8(6-9)7-16-12(19)10(15-13(16)20)4-5-11(17)18/h1-3,6,10H,4-5,7H2,(H,15,20)(H,17,18)/t10-/m1/s1
InChIKeyQGJWUTRJGIZTOQ-SNVBAGLBSA-N
MW296.71 g/mol
LogP1.63
Rot. Bonds5

About 3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid

3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid (PubChem CID 125284795) has the molecular formula C13H13ClN2O4 and a molecular weight of 296.71 g/mol. Its IUPAC name is 3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid.

Molecular Properties

Compound Name3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
PubChem CID125284795
Molecular FormulaC13H13ClN2O4
Molecular Weight296.71 g/mol
Exact Mass296.06
IUPAC Name3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
SMILESO=C(O)CC[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O
InChIInChI=1S/C13H13ClN2O4/c14-9-3-1-2-8(6-9)7-16-12(19)10(15-13(16)20)4-5-11(17)18/h1-3,6,10H,4-5,7H2,(H,15,20)(H,17,18)/t10-/m1/s1
InChIKeyQGJWUTRJGIZTOQ-SNVBAGLBSA-N
XLogP1.63
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.71
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-1-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51646647
3-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[(3-chlorophenyl)methyl]propanamide
CID 73257738
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]propanoic acid
CID 51841514
N-(2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-ylmethyl)-3-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanamide
CID 110209687
2-[1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-hydroxy-3-methylpentan-2-yl)acetamide
CID 91823474
2-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]-N-[(2S)-1-hydroxy-4-methylsulfanylbutan-2-yl]acetamide
CID 124861270
2-[4-[(2,5-dioxo-4-propylimidazolidin-1-yl)methyl]phenyl]acetic acid
CID 105345329
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(4-phenoxyphenyl)propanamide
CID 73259731
3-benzyl-5-prop-2-ynylimidazolidine-2,4-dione
CID 106509603
2-[1-(3-chlorophenyl)-2,5-dioxoimidazolidin-4-yl]acetic acid
CID 3047053
6-chloro-1,3-bis[(3-chlorophenyl)methyl]-3H-indol-2-one
CID 141158846
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(3-methoxypropyl)propanamide
CID 51837195

Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid?
The IUPAC name of 3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid (CID 125284795) is 3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid.
What is the SMILES notation for 3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid?
The canonical SMILES for 3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid is O=C(O)CC[C@H]1NC(=O)N(Cc2cccc(Cl)c2)C1=O.
What is the InChIKey of 3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid?
The InChIKey is QGJWUTRJGIZTOQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H13ClN2O4/c14-9-3-1-2-8(6-9)7-16-12(19)10(15-13(16)20)4-5-11(17)18/h1-3,6,10H,4-5,7H2,(H,15,20)(H,17,18)/t10-/m1/s1.
What are the key properties of 3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid?
3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid has a molecular weight of 296.71 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-[(3-chlorophenyl)methyl]-2,5-dioxoimidazolidin-4-yl]propanoic acid is sourced from PubChem (CID 125284795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).