methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate

C14H18N2O3 — CID 116980390

IUPACmethyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)N1CC(c2ccccc2)NC1=O
InChIInChI=1S/C14H18N2O3/c1-14(2,12(17)19-3)16-9-11(15-13(16)18)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)
InChIKeyHXRCROORTFUDSE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.70
Rot. Bonds3

About methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate

methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate (PubChem CID 116980390) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate
PubChem CID116980390
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Namemethyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate
SMILESCOC(=O)C(C)(C)N1CC(c2ccccc2)NC1=O
InChIInChI=1S/C14H18N2O3/c1-14(2,12(17)19-3)16-9-11(15-13(16)18)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18)
InChIKeyHXRCROORTFUDSE-UHFFFAOYSA-N
XLogP1.70
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl (4S)-2-oxo-4-phenylimidazolidine-1-carboxylate
CID 155394671
2-[4-(2-fluorophenyl)-2-oxoimidazolidin-1-yl]-2-methylpropanoic acid
CID 116979592
1-(1-methoxy-2-methyl-1-oxopropan-2-yl)-5-oxopyrrolidine-3-carboxylic acid
CID 82680909
1-(1-hydroxyethyl)-4-phenylimidazolidin-2-one
CID 70630511
(4S)-1,4-diphenylimidazolidin-2-one
CID 163207794
methyl 2-cyclopropyl-2-phenylpropanoate
CID 131845988
2-cyclopentyl-3-methoxy-3-oxo-2-phenylpropanoic acid
CID 10515617
methyl 2-(2,6-dioxo-4-phenyl-1,3-diazinan-1-yl)benzoate
CID 42868328
2-oxo-6-phenylpiperidine-3-carboxylic acid
CID 71651347
(4R)-1-nitroso-4-phenylimidazolidin-2-one
CID 142070410
methyl (2S)-2-[(3S,5R)-3,5-dimethylpiperidin-1-yl]-2-phenylpropanoate
CID 97034680
methyl 5-phenylpyrrolidine-2-carboxylate
CID 67257959

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate (CID 116980390) is methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate is COC(=O)C(C)(C)N1CC(c2ccccc2)NC1=O.
What is the InChIKey of methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate?
The InChIKey is HXRCROORTFUDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-14(2,12(17)19-3)16-9-11(15-13(16)18)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,15,18).
What are the key properties of methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate?
methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate has a molecular weight of 262.31 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(2-oxo-4-phenylimidazolidin-1-yl)propanoate is sourced from PubChem (CID 116980390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).