tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate

C11H20N2O4 — CID 167414757

IUPACtert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate
SMILESCN1C(=O)N(CC(=O)OC(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-9(15)6-13-5-8(7-14)12(4)10(13)16/h8,14H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyGXFITNQIEDNILS-MRVPVSSYSA-N
MW244.29 g/mol
LogP0.06
Rot. Bonds3

About tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate

tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate (PubChem CID 167414757) has the molecular formula C11H20N2O4 and a molecular weight of 244.29 g/mol. Its IUPAC name is tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate
PubChem CID167414757
Molecular FormulaC11H20N2O4
Molecular Weight244.29 g/mol
Exact Mass244.14
IUPAC Nametert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate
SMILESCN1C(=O)N(CC(=O)OC(C)(C)C)C[C@@H]1CO
InChIInChI=1S/C11H20N2O4/c1-11(2,3)17-9(15)6-13-5-8(7-14)12(4)10(13)16/h8,14H,5-7H2,1-4H3/t8-/m1/s1
InChIKeyGXFITNQIEDNILS-MRVPVSSYSA-N
XLogP0.06
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate (CID 167414757) is tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate is CN1C(=O)N(CC(=O)OC(C)(C)C)C[C@@H]1CO.
What is the InChIKey of tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate?
The InChIKey is GXFITNQIEDNILS-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H20N2O4/c1-11(2,3)17-9(15)6-13-5-8(7-14)12(4)10(13)16/h8,14H,5-7H2,1-4H3/t8-/m1/s1.
What are the key properties of tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate?
tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate has a molecular weight of 244.29 g/mol, XLogP of 0.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R)-4-(hydroxymethyl)-3-methyl-2-oxoimidazolidin-1-yl]acetate is sourced from PubChem (CID 167414757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).