methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate

C14H16N2O4 — CID 10492694

IUPACmethyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)CCc2ccccc2)C(=O)N1
InChIInChI=1S/C14H16N2O4/c1-20-13(18)11-9-16(14(19)15-11)12(17)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeyZJVZAJZTMLOELN-LLVKDONJSA-N
MW276.29 g/mol
LogP0.71
Rot. Bonds4

About methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate

methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate (PubChem CID 10492694) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate
PubChem CID10492694
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Namemethyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate
SMILESCOC(=O)[C@H]1CN(C(=O)CCc2ccccc2)C(=O)N1
InChIInChI=1S/C14H16N2O4/c1-20-13(18)11-9-16(14(19)15-11)12(17)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)/t11-/m1/s1
InChIKeyZJVZAJZTMLOELN-LLVKDONJSA-N
XLogP0.71
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,4S)-4-chloro-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 70092662
methyl 4-hydroxy-1-(3-phenylpropanoyl)pyrrolidine-2-carboxylate
CID 115970990
benzyl (4R)-1-methyl-2-oxoimidazolidine-4-carboxylate
CID 50999035
4-amino-1-(3-phenylpropanoyl)pyrrolidin-2-one
CID 112534759
1-(3-phenylpropanoyl)-2,3,4,5-tetrahydro-1,4-benzodiazepine-3-carboxylic acid
CID 57226311
[(1R)-1-[(3S)-2-oxo-1-(3-phenylpropanoyl)azetidin-3-yl]ethyl] 5-phenylpentanoate
CID 44550951
(4S)-4-phenyl-1-(3-phenylpropanoyl)pyrrolidine-2,3-dione
CID 8991301
1-[3-(methylamino)pyrrolidin-1-yl]-3-phenylpropan-1-one
CID 81425109
3-(3-phenylpropanoyl)-7-oxa-3-azabicyclo[4.1.0]heptan-2-one
CID 46937357
methyl 4-hydroxy-2-oxo-5-(2-phenylethyl)pyrrolidine-3-carboxylate
CID 70987709
5-oxo-N-[1-(3-phenylpropanoyl)piperidin-4-yl]pyrrolidine-2-carboxamide
CID 110820856
methyl (2S)-4-benzyl-5-oxopyrrolidine-2-carboxylate
CID 67460134

Frequently Asked Questions

What is the IUPAC name of methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate?
The IUPAC name of methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate (CID 10492694) is methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate.
What is the SMILES notation for methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate?
The canonical SMILES for methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate is COC(=O)[C@H]1CN(C(=O)CCc2ccccc2)C(=O)N1.
What is the InChIKey of methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate?
The InChIKey is ZJVZAJZTMLOELN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-20-13(18)11-9-16(14(19)15-11)12(17)8-7-10-5-3-2-4-6-10/h2-6,11H,7-9H2,1H3,(H,15,19)/t11-/m1/s1.
What are the key properties of methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate?
methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate has a molecular weight of 276.29 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-2-oxo-1-(3-phenylpropanoyl)imidazolidine-4-carboxylate is sourced from PubChem (CID 10492694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).