methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate

C16H20N2O3 — CID 51680443

IUPACmethyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N(C2CC2)[C@H]1C
InChIInChI=1S/C16H20N2O3/c1-10-13(15(19)21-2)14(11-6-4-3-5-7-11)17-16(20)18(10)12-8-9-12/h3-7,10,12-14H,8-9H2,1-2H3,(H,17,20)/t10-,13-,14-/m0/s1
InChIKeyHKUBUMMUWHIHJP-BPNCWPANSA-N
MW288.35 g/mol
LogP2.09
Rot. Bonds3

About methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate

methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate (PubChem CID 51680443) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate.

Molecular Properties

Compound Namemethyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
PubChem CID51680443
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namemethyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
SMILESCOC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N(C2CC2)[C@H]1C
InChIInChI=1S/C16H20N2O3/c1-10-13(15(19)21-2)14(11-6-4-3-5-7-11)17-16(20)18(10)12-8-9-12/h3-7,10,12-14H,8-9H2,1-2H3,(H,17,20)/t10-,13-,14-/m0/s1
InChIKeyHKUBUMMUWHIHJP-BPNCWPANSA-N
XLogP2.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate with MolForge

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Related Compounds

methyl 1-(2-ethoxy-2-oxoethyl)-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate
CID 73324817
dimethyl (2S,3S,4R,5S)-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 101203348
methyl 6-methyl-2-oxo-4-phenyl-1-[2-(3,4,5-trimethoxyphenyl)ethyl]-1,3-diazinane-5-carboxylate
CID 73324804
5-O-tert-butyl 3-O-methyl (3S,4R,5S,6R)-4-methyl-2-oxo-6-phenylpiperidine-3,5-dicarboxylate
CID 12996378
methyl 3-phenylpyrrolidine-2-carboxylate
CID 18663579
methyl 2-phenylpyrrolidine-3-carboxylate
CID 12955149
dimethyl (2S,3R,4S,5R)-2-(4-hydroxyphenyl)-5-phenylpyrrolidine-3,4-dicarboxylate
CID 101222066
5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one
CID 73324809
trans-methyl (1S,2S)-2-phenylcyclopropane-1-carboxylate
CID 642984
methyl 9-methyl-3-phenyl-9-azabicyclo[3.3.1]nonane-2-carboxylate
CID 18756318
dimethyl (2R,3S,4S,5R)-1-methyl-2,5-diphenylpyrrolidine-3,4-dicarboxylate
CID 13169497
cis-methyl (1S,2R)-2-phenylcyclobutane-1-carboxylate
CID 99991979

Frequently Asked Questions

What is the IUPAC name of methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
The IUPAC name of methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate (CID 51680443) is methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate.
What is the SMILES notation for methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
The canonical SMILES for methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate is COC(=O)[C@@H]1[C@H](c2ccccc2)NC(=O)N(C2CC2)[C@H]1C.
What is the InChIKey of methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
The InChIKey is HKUBUMMUWHIHJP-BPNCWPANSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10-13(15(19)21-2)14(11-6-4-3-5-7-11)17-16(20)18(10)12-8-9-12/h3-7,10,12-14H,8-9H2,1-2H3,(H,17,20)/t10-,13-,14-/m0/s1.
What are the key properties of methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate?
methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate has a molecular weight of 288.35 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R,5R,6S)-1-cyclopropyl-6-methyl-2-oxo-4-phenyl-1,3-diazinane-5-carboxylate is sourced from PubChem (CID 51680443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).