methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate

C18H18N2O3 — CID 11220613

IUPACmethyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1[C@H](c2ccccc2)N(c2ccccc2)C(=O)N1C
InChIInChI=1S/C18H18N2O3/c1-19-16(17(21)23-2)15(13-9-5-3-6-10-13)20(18(19)22)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+/m0/s1
InChIKeyBTKOIPNTCXPOTM-JKSUJKDBSA-N
MW310.35 g/mol
LogP2.84
Rot. Bonds3

About methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate

methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate (PubChem CID 11220613) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate
PubChem CID11220613
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC Namemethyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1[C@H](c2ccccc2)N(c2ccccc2)C(=O)N1C
InChIInChI=1S/C18H18N2O3/c1-19-16(17(21)23-2)15(13-9-5-3-6-10-13)20(18(19)22)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+/m0/s1
InChIKeyBTKOIPNTCXPOTM-JKSUJKDBSA-N
XLogP2.84
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-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

methyl (2S,3S)-1-methyl-3-phenylaziridine-2-carboxylate
CID 101194105
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
methyl (2R,3S)-1-benzyl-3-phenylaziridine-2-carboxylate
CID 23243948
methyl (2S,3S)-1-(3-methoxy-3-oxopropyl)-3-phenylaziridine-2-carboxylate
CID 23266537
methyl (2S,3R)-1-(1,3-dioxoisoindol-2-yl)-3-phenylaziridine-2-carboxylate
CID 11186331
3-acetyl-1,4-diphenylazetidin-2-one
CID 12575792
methyl 4-hydroxy-5-oxo-1,2-diphenyl-2H-pyrrole-3-carboxylate
CID 54736162
methyl 3-hydroxy-2-oxo-1,4-diphenylazetidine-3-carboxylate
CID 102070722
methyl 3-[[(3R,4S)-2-oxo-1,4-diphenylazetidin-3-yl]amino]but-2-enoate
CID 70577054
1-O-tert-butyl 2-O-methyl (2S,3S,4R,5R)-3,4-dihydroxy-5-phenylpyrrolidine-1,2-dicarboxylate
CID 56934741
methyl (3S,4R,5S)-5-hydroxy-5-methyl-2,3-diphenyl-1,2-oxazolidine-4-carboxylate
CID 102441654
(3R,4S)-3-hydroxy-1,4-diphenylazetidin-2-one
CID 11424956

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate?
The IUPAC name of methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate (CID 11220613) is methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate?
The canonical SMILES for methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate is COC(=O)[C@H]1[C@H](c2ccccc2)N(c2ccccc2)C(=O)N1C.
What is the InChIKey of methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate?
The InChIKey is BTKOIPNTCXPOTM-JKSUJKDBSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-19-16(17(21)23-2)15(13-9-5-3-6-10-13)20(18(19)22)14-11-7-4-8-12-14/h3-12,15-16H,1-2H3/t15-,16+/m0/s1.
What are the key properties of methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate?
methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate has a molecular weight of 310.35 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5S)-3-methyl-2-oxo-1,5-diphenylimidazolidine-4-carboxylate is sourced from PubChem (CID 11220613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).