2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid

C15H18N2O6 — CID 94752273

IUPAC2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC[C@]1(c2cc(OC)ccc2OC)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C15H18N2O6/c1-4-15(10-7-9(22-2)5-6-11(10)23-3)13(20)17(8-12(18)19)14(21)16-15/h5-7H,4,8H2,1-3H3,(H,16,21)(H,18,19)/t15-/m1/s1
InChIKeyJZERNUJBWPCCSB-OAHLLOKOSA-N
MW322.32 g/mol
LogP0.95
Rot. Bonds6

About 2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid

2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid (PubChem CID 94752273) has the molecular formula C15H18N2O6 and a molecular weight of 322.32 g/mol. Its IUPAC name is 2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
PubChem CID94752273
Molecular FormulaC15H18N2O6
Molecular Weight322.32 g/mol
Exact Mass322.12
IUPAC Name2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
SMILESCC[C@]1(c2cc(OC)ccc2OC)NC(=O)N(CC(=O)O)C1=O
InChIInChI=1S/C15H18N2O6/c1-4-15(10-7-9(22-2)5-6-11(10)23-3)13(20)17(8-12(18)19)14(21)16-15/h5-7H,4,8H2,1-3H3,(H,16,21)(H,18,19)/t15-/m1/s1
InChIKeyJZERNUJBWPCCSB-OAHLLOKOSA-N
XLogP0.95
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.32
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7595570
2-[(4R)-4-(3-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-(2,5-dimethoxyphenyl)acetamide
CID 41208228
(5R)-3-[2-(3-chloro-4-methoxyphenyl)-2-oxoethyl]-5-ethyl-5-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 7489664
2-[4-(3,4-dimethylphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 75532088
2-[4-ethyl-2,5-dioxo-4-(4-propan-2-yloxyphenyl)imidazolidin-1-yl]acetic acid
CID 75532094
(5S)-5-ethyl-5-(4-methoxyphenyl)-3-phenacylimidazolidine-2,4-dione
CID 7595526
N-[4-(2,5-dimethoxyphenyl)-1,3-thiazol-2-yl]-2-(4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl)acetamide
CID 16551474
2-[4-(4-chlorophenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]-N-[1-(2,5-dimethoxyphenyl)ethyl]acetamide
CID 55398401
2-[(4S)-4-ethyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 2582592
(5S)-3-[(2,5-dimethoxyphenyl)methyl]-5-ethyl-5-(4-fluorophenyl)imidazolidine-2,4-dione
CID 8571287
2-[4-(4-methoxy-3-methylphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetic acid
CID 75532099
(5R)-5-ethyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 42064162

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The IUPAC name of 2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid (CID 94752273) is 2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid.
What is the SMILES notation for 2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The canonical SMILES for 2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid is CC[C@]1(c2cc(OC)ccc2OC)NC(=O)N(CC(=O)O)C1=O.
What is the InChIKey of 2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
The InChIKey is JZERNUJBWPCCSB-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H18N2O6/c1-4-15(10-7-9(22-2)5-6-11(10)23-3)13(20)17(8-12(18)19)14(21)16-15/h5-7H,4,8H2,1-3H3,(H,16,21)(H,18,19)/t15-/m1/s1.
What are the key properties of 2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid?
2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid has a molecular weight of 322.32 g/mol, XLogP of 0.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-4-(2,5-dimethoxyphenyl)-4-ethyl-2,5-dioxoimidazolidin-1-yl]acetic acid is sourced from PubChem (CID 94752273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).