ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate

C10H13N3O5 — CID 830054

IUPACethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)NCC(=O)OC
InChIInChI=1S/C10H13N3O5/c1-3-18-10(16)8-7(12-5-13-8)9(15)11-4-6(14)17-2/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyNTMANKMUXNJGDX-UHFFFAOYSA-N
MW255.23 g/mol
LogP-0.51
Rot. Bonds5

About ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate

ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate (PubChem CID 830054) has the molecular formula C10H13N3O5 and a molecular weight of 255.23 g/mol. Its IUPAC name is ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate
PubChem CID830054
Molecular FormulaC10H13N3O5
Molecular Weight255.23 g/mol
Exact Mass255.09
IUPAC Nameethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate
SMILESCCOC(=O)c1[nH]cnc1C(=O)NCC(=O)OC
InChIInChI=1S/C10H13N3O5/c1-3-18-10(16)8-7(12-5-13-8)9(15)11-4-6(14)17-2/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13)
InChIKeyNTMANKMUXNJGDX-UHFFFAOYSA-N
XLogP-0.51
TPSA110.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.23
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate?
The IUPAC name of ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate (CID 830054) is ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate?
The canonical SMILES for ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate is CCOC(=O)c1[nH]cnc1C(=O)NCC(=O)OC.
What is the InChIKey of ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate?
The InChIKey is NTMANKMUXNJGDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O5/c1-3-18-10(16)8-7(12-5-13-8)9(15)11-4-6(14)17-2/h5H,3-4H2,1-2H3,(H,11,15)(H,12,13).
What are the key properties of ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate?
ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate has a molecular weight of 255.23 g/mol, XLogP of -0.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-methoxy-2-oxoethyl)carbamoyl]-1H-imidazole-5-carboxylate is sourced from PubChem (CID 830054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).