methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate

C14H15ClN2O5 — CID 166233884

IUPACmethyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESCOC(=O)CC[C@H]1NC(=O)N(c2ccc(OC)c(Cl)c2)C1=O
InChIInChI=1S/C14H15ClN2O5/c1-21-11-5-3-8(7-9(11)15)17-13(19)10(16-14(17)20)4-6-12(18)22-2/h3,5,7,10H,4,6H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyJJUCZOUORKRFFC-SNVBAGLBSA-N
MW326.74 g/mol
LogP1.73
Rot. Bonds5

About methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate

methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate (PubChem CID 166233884) has the molecular formula C14H15ClN2O5 and a molecular weight of 326.74 g/mol. Its IUPAC name is methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate.

Molecular Properties

Compound Namemethyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate
PubChem CID166233884
Molecular FormulaC14H15ClN2O5
Molecular Weight326.74 g/mol
Exact Mass326.07
IUPAC Namemethyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate
SMILESCOC(=O)CC[C@H]1NC(=O)N(c2ccc(OC)c(Cl)c2)C1=O
InChIInChI=1S/C14H15ClN2O5/c1-21-11-5-3-8(7-9(11)15)17-13(19)10(16-14(17)20)4-6-12(18)22-2/h3,5,7,10H,4,6H2,1-2H3,(H,16,20)/t10-/m1/s1
InChIKeyJJUCZOUORKRFFC-SNVBAGLBSA-N
XLogP1.73
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.74
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate?
The IUPAC name of methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate (CID 166233884) is methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate.
What is the SMILES notation for methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate?
The canonical SMILES for methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate is COC(=O)CC[C@H]1NC(=O)N(c2ccc(OC)c(Cl)c2)C1=O.
What is the InChIKey of methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate?
The InChIKey is JJUCZOUORKRFFC-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H15ClN2O5/c1-21-11-5-3-8(7-9(11)15)17-13(19)10(16-14(17)20)4-6-12(18)22-2/h3,5,7,10H,4,6H2,1-2H3,(H,16,20)/t10-/m1/s1.
What are the key properties of methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate?
methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate has a molecular weight of 326.74 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(4R)-1-(3-chloro-4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanoate is sourced from PubChem (CID 166233884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).