ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate

C14H15N3O5 — CID 110686826

IUPACethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C14H15N3O5/c1-2-22-13(20)9-5-3-4-6-10(9)16-11(18)8-17-12(19)7-15-14(17)21/h3-6H,2,7-8H2,1H3,(H,15,21)(H,16,18)
InChIKeyAYHWBTSBSSXGSK-UHFFFAOYSA-N
MW305.29 g/mol
LogP0.35
Rot. Bonds5

About ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate

ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate (PubChem CID 110686826) has the molecular formula C14H15N3O5 and a molecular weight of 305.29 g/mol. Its IUPAC name is ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate.

Molecular Properties

Compound Nameethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
PubChem CID110686826
Molecular FormulaC14H15N3O5
Molecular Weight305.29 g/mol
Exact Mass305.10
IUPAC Nameethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
SMILESCCOC(=O)c1ccccc1NC(=O)CN1C(=O)CNC1=O
InChIInChI=1S/C14H15N3O5/c1-2-22-13(20)9-5-3-4-6-10(9)16-11(18)8-17-12(19)7-15-14(17)21/h3-6H,2,7-8H2,1H3,(H,15,21)(H,16,18)
InChIKeyAYHWBTSBSSXGSK-UHFFFAOYSA-N
XLogP0.35
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.29
LogP ≤ 50.35
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

3-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]-2-methylbenzoic acid
CID 62948565
2-(2,5-dioxoimidazolidin-1-yl)-N-(2-fluorophenyl)acetamide
CID 110686766
ethyl 2-[[2-[(1R,2R,6R,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]acetyl]amino]benzoate
CID 125145140
ethyl 2-[[2-(1,1,4-trioxo-2,3-dihydro-1lambda6,5-benzothiazepin-5-yl)acetyl]amino]benzoate
CID 3237899
ethyl 2-[[2-(6-methyl-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]benzoate
CID 23410098
ethyl 2-[[2-(4-ethylpiperazin-1-yl)acetyl]amino]benzoate
CID 108995538
ethyl 2-[[2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)acetyl]amino]benzoate
CID 4855786
ethyl 2-(propanoylamino)benzoate
CID 4190428
ethyl 2-[[2-(2-oxo-4-phenyl-3H-1,5-benzodiazepin-1-yl)acetyl]amino]benzoate
CID 46342370
ethyl 2-[[2-(3-methylimidazol-3-ium-1-yl)acetyl]amino]benzoate
CID 3477064
ethyl 2-[[2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 2702268
ethyl 2-[[2-[3-[(1R,2R)-2-methylcyclohexyl]-2,4,5-trioxoimidazolidin-1-yl]acetyl]amino]benzoate
CID 7800605

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate?
The IUPAC name of ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate (CID 110686826) is ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate.
What is the SMILES notation for ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate?
The canonical SMILES for ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate is CCOC(=O)c1ccccc1NC(=O)CN1C(=O)CNC1=O.
What is the InChIKey of ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate?
The InChIKey is AYHWBTSBSSXGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5/c1-2-22-13(20)9-5-3-4-6-10(9)16-11(18)8-17-12(19)7-15-14(17)21/h3-6H,2,7-8H2,1H3,(H,15,21)(H,16,18).
What are the key properties of ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate?
ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate has a molecular weight of 305.29 g/mol, XLogP of 0.35, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[2-(2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate is sourced from PubChem (CID 110686826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).