[(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

C17H20N2O4 — CID 71657701

IUPAC[(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESCOC(=O)C[C@@H](C)OC(=O)c1cncn1[C@H](C)c1ccccc1
InChIInChI=1S/C17H20N2O4/c1-12(9-16(20)22-3)23-17(21)15-10-18-11-19(15)13(2)14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3/t12-,13-/m1/s1
InChIKeyAJVRMDXELSTWCA-CHWSQXEVSA-N
MW316.36 g/mol
LogP2.60
Rot. Bonds6

About [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate

[(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (PubChem CID 71657701) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.

Molecular Properties

Compound Name[(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
PubChem CID71657701
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name[(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
SMILESCOC(=O)C[C@@H](C)OC(=O)c1cncn1[C@H](C)c1ccccc1
InChIInChI=1S/C17H20N2O4/c1-12(9-16(20)22-3)23-17(21)15-10-18-11-19(15)13(2)14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3/t12-,13-/m1/s1
InChIKeyAJVRMDXELSTWCA-CHWSQXEVSA-N
XLogP2.60
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 71657703
methoxycarbonyloxymethyl 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 154601739
methanol;(3-methoxy-3-oxopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;3-[3-[(1R)-1-phenylethyl]imidazole-4-carbonyl]oxypropanoate
CID 162187684
(3-methoxy-2,2-dimethyl-3-oxopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;(4-methoxy-2-methyl-4-oxobutan-2-yl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-3-methoxy-2-methyl-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-3-methoxy-2-methyl-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2S)-1-methoxy-1-oxopropan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate;[(2R)-1-methoxy-1-oxopropan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 160731349
(4-methoxycarbonylphenyl) 3-(1-phenylethyl)imidazole-4-carboxylate
CID 174872426
2,2-dimethoxy-1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
CID 167321198
(1-hydroxycyclobutyl)methyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373640
(3-oxo-2-phenylbutyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 118246219
(2-methyl-3-oxopropyl) 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 129313659
3-propan-2-yloxycarbonyloxypropyl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 174877574
[3-methoxy-2-(1,4-oxazin-4-yl)-3-oxopropyl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate
CID 71656298
2-methylpent-3-yn-2-yl 3-(1-phenylethyl)imidazole-4-carboxylate
CID 155373647

Frequently Asked Questions

What is the IUPAC name of [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The IUPAC name of [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate (CID 71657701) is [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate.
What is the SMILES notation for [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The canonical SMILES for [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is COC(=O)C[C@@H](C)OC(=O)c1cncn1[C@H](C)c1ccccc1.
What is the InChIKey of [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
The InChIKey is AJVRMDXELSTWCA-CHWSQXEVSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-12(9-16(20)22-3)23-17(21)15-10-18-11-19(15)13(2)14-7-5-4-6-8-14/h4-8,10-13H,9H2,1-3H3/t12-,13-/m1/s1.
What are the key properties of [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate?
[(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate has a molecular weight of 316.36 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-4-methoxy-4-oxobutan-2-yl] 3-[(1R)-1-phenylethyl]imidazole-4-carboxylate is sourced from PubChem (CID 71657701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).