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

C14H17N3O4 — CID 134793783

IUPACmethyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C14H17N3O4/c1-21-12(18)7-15-13(19)11-9-17(14(20)16-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyCQSUKOQIAFGRIM-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.13
Rot. Bonds5

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

methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate (PubChem CID 134793783) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate
PubChem CID134793783
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Namemethyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CN(Cc2ccccc2)C(=O)N1
InChIInChI=1S/C14H17N3O4/c1-21-12(18)7-15-13(19)11-9-17(14(20)16-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,20)
InChIKeyCQSUKOQIAFGRIM-UHFFFAOYSA-N
XLogP-0.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate (CID 134793783) is methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate is COC(=O)CNC(=O)C1CN(Cc2ccccc2)C(=O)N1.
What is the InChIKey of methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate?
The InChIKey is CQSUKOQIAFGRIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c1-21-12(18)7-15-13(19)11-9-17(14(20)16-11)8-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)(H,16,20).
What are the key properties of methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate?
methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate has a molecular weight of 291.31 g/mol, XLogP of -0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(1-benzyl-2-oxoimidazolidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 134793783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).