methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate

C13H14ClN3O4 — CID 134793775

IUPACmethyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CN(c2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C13H14ClN3O4/c1-21-11(18)6-15-12(19)10-7-17(13(20)16-10)9-4-2-3-8(14)5-9/h2-5,10H,6-7H2,1H3,(H,15,19)(H,16,20)
InChIKeyYPQZVLWAGORNQU-UHFFFAOYSA-N
MW311.73 g/mol
LogP0.53
Rot. Bonds4

About methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate

methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate (PubChem CID 134793775) has the molecular formula C13H14ClN3O4 and a molecular weight of 311.73 g/mol. Its IUPAC name is methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate
PubChem CID134793775
Molecular FormulaC13H14ClN3O4
Molecular Weight311.73 g/mol
Exact Mass311.07
IUPAC Namemethyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate
SMILESCOC(=O)CNC(=O)C1CN(c2cccc(Cl)c2)C(=O)N1
InChIInChI=1S/C13H14ClN3O4/c1-21-11(18)6-15-12(19)10-7-17(13(20)16-10)9-4-2-3-8(14)5-9/h2-5,10H,6-7H2,1H3,(H,15,19)(H,16,20)
InChIKeyYPQZVLWAGORNQU-UHFFFAOYSA-N
XLogP0.53
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate?
The IUPAC name of methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate (CID 134793775) is methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate.
What is the SMILES notation for methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate?
The canonical SMILES for methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate is COC(=O)CNC(=O)C1CN(c2cccc(Cl)c2)C(=O)N1.
What is the InChIKey of methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate?
The InChIKey is YPQZVLWAGORNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O4/c1-21-11(18)6-15-12(19)10-7-17(13(20)16-10)9-4-2-3-8(14)5-9/h2-5,10H,6-7H2,1H3,(H,15,19)(H,16,20).
What are the key properties of methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate?
methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate has a molecular weight of 311.73 g/mol, XLogP of 0.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(3-chlorophenyl)-2-oxoimidazolidine-4-carbonyl]amino]acetate is sourced from PubChem (CID 134793775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).