methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate

C13H13N3O3 — CID 64539915

IUPACmethyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cnc[nH]1)c1ccccc1
InChIInChI=1S/C13H13N3O3/c1-19-13(18)11(9-5-3-2-4-6-9)16-12(17)10-7-14-8-15-10/h2-8,11H,1H3,(H,14,15)(H,16,17)
InChIKeyYDCYEQUQAFKIQY-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.05
Rot. Bonds4

About methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate

methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate (PubChem CID 64539915) has the molecular formula C13H13N3O3 and a molecular weight of 259.27 g/mol. Its IUPAC name is methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate.

Molecular Properties

Compound Namemethyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate
PubChem CID64539915
Molecular FormulaC13H13N3O3
Molecular Weight259.27 g/mol
Exact Mass259.10
IUPAC Namemethyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate
SMILESCOC(=O)C(NC(=O)c1cnc[nH]1)c1ccccc1
InChIInChI=1S/C13H13N3O3/c1-19-13(18)11(9-5-3-2-4-6-9)16-12(17)10-7-14-8-15-10/h2-8,11H,1H3,(H,14,15)(H,16,17)
InChIKeyYDCYEQUQAFKIQY-UHFFFAOYSA-N
XLogP1.05
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124436
N-[(1R)-1-phenylethyl]-1H-imidazole-5-carboxamide
CID 141124408
methyl (2R)-2-[[2-[[(1R)-2-methoxy-2-oxo-1-phenylethyl]carbamoyl]benzoyl]amino]-2-phenylacetate
CID 26791246
methyl 2-phenyl-2-(pyrazine-2-carbonylamino)acetate
CID 12580941
methyl 2-[(4-amino-1H-pyrazole-5-carbonyl)amino]-2-phenylacetate
CID 63102517
methyl (2R)-2-acetamido-2-phenylacetate
CID 10921683
methyl 2-[(2-aminobenzoyl)amino]-2-phenylacetate
CID 62109453
methyl 2-[(3-hydroxypyridine-2-carbonyl)amino]-2-phenylacetate
CID 62109864
methyl 2-[(5-methyl-1,2-oxazole-4-carbonyl)amino]-2-phenylacetate
CID 62109188
methyl 2-[(4-iodobenzoyl)amino]-2-phenylacetate
CID 62109861
methyl 2-[(3-aminopyridine-2-carbonyl)amino]-2-phenylacetate
CID 104742175
methyl (2S)-2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-2-phenylacetate
CID 44542358

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate?
The IUPAC name of methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate (CID 64539915) is methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate.
What is the SMILES notation for methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate?
The canonical SMILES for methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate is COC(=O)C(NC(=O)c1cnc[nH]1)c1ccccc1.
What is the InChIKey of methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate?
The InChIKey is YDCYEQUQAFKIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c1-19-13(18)11(9-5-3-2-4-6-9)16-12(17)10-7-14-8-15-10/h2-8,11H,1H3,(H,14,15)(H,16,17).
What are the key properties of methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate?
methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate has a molecular weight of 259.27 g/mol, XLogP of 1.05, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1H-imidazole-5-carbonylamino)-2-phenylacetate is sourced from PubChem (CID 64539915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).