ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate

C15H17N3O4 — CID 124851868

IUPACethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(C[C@@H](O)c2ccccc2)c(C(N)=O)n1
InChIInChI=1S/C15H17N3O4/c1-2-22-15(21)11-8-18(14(17-11)13(16)20)9-12(19)10-6-4-3-5-7-10/h3-8,12,19H,2,9H2,1H3,(H2,16,20)/t12-/m1/s1
InChIKeyTUIKPWYMISKOMN-GFCCVEGCSA-N
MW303.32 g/mol
LogP0.89
Rot. Bonds6

About ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate

ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate (PubChem CID 124851868) has the molecular formula C15H17N3O4 and a molecular weight of 303.32 g/mol. Its IUPAC name is ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate
PubChem CID124851868
Molecular FormulaC15H17N3O4
Molecular Weight303.32 g/mol
Exact Mass303.12
IUPAC Nameethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate
SMILESCCOC(=O)c1cn(C[C@@H](O)c2ccccc2)c(C(N)=O)n1
InChIInChI=1S/C15H17N3O4/c1-2-22-15(21)11-8-18(14(17-11)13(16)20)9-12(19)10-6-4-3-5-7-10/h3-8,12,19H,2,9H2,1H3,(H2,16,20)/t12-/m1/s1
InChIKeyTUIKPWYMISKOMN-GFCCVEGCSA-N
XLogP0.89
TPSA107.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate?
The IUPAC name of ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate (CID 124851868) is ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate is CCOC(=O)c1cn(C[C@@H](O)c2ccccc2)c(C(N)=O)n1.
What is the InChIKey of ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate?
The InChIKey is TUIKPWYMISKOMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H17N3O4/c1-2-22-15(21)11-8-18(14(17-11)13(16)20)9-12(19)10-6-4-3-5-7-10/h3-8,12,19H,2,9H2,1H3,(H2,16,20)/t12-/m1/s1.
What are the key properties of ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate?
ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate has a molecular weight of 303.32 g/mol, XLogP of 0.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-carbamoyl-1-[(2S)-2-hydroxy-2-phenylethyl]imidazole-4-carboxylate is sourced from PubChem (CID 124851868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).