methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate

C13H15N3O4 — CID 134792114

IUPACmethyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CN(c2ccccc2)C(=O)N1
InChIInChI=1S/C13H15N3O4/c1-20-11(17)7-14-12(18)10-8-16(13(19)15-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,15,19)
InChIKeySKIHIZZGZRXRGH-UHFFFAOYSA-N
MW277.28 g/mol
LogP-0.13
Rot. Bonds4

About methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate

methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate (PubChem CID 134792114) has the molecular formula C13H15N3O4 and a molecular weight of 277.28 g/mol. Its IUPAC name is methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate.

Molecular Properties

Compound Namemethyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate
PubChem CID134792114
Molecular FormulaC13H15N3O4
Molecular Weight277.28 g/mol
Exact Mass277.11
IUPAC Namemethyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate
SMILESCOC(=O)CNC(=O)C1CN(c2ccccc2)C(=O)N1
InChIInChI=1S/C13H15N3O4/c1-20-11(17)7-14-12(18)10-8-16(13(19)15-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,15,19)
InChIKeySKIHIZZGZRXRGH-UHFFFAOYSA-N
XLogP-0.13
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.28
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-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate?
The IUPAC name of methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate (CID 134792114) is methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate.
What is the SMILES notation for methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate?
The canonical SMILES for methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate is COC(=O)CNC(=O)C1CN(c2ccccc2)C(=O)N1.
What is the InChIKey of methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate?
The InChIKey is SKIHIZZGZRXRGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4/c1-20-11(17)7-14-12(18)10-8-16(13(19)15-10)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,14,18)(H,15,19).
What are the key properties of methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate?
methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate has a molecular weight of 277.28 g/mol, XLogP of -0.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(2-oxo-1-phenylimidazolidine-4-carbonyl)amino]acetate is sourced from PubChem (CID 134792114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).