(5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one

C10H12N2O4 — CID 46224004

IUPAC(5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](CC(=O)n2ccnc2)O1
InChIInChI=1S/C10H12N2O4/c1-10(2)15-7(9(14)16-10)5-8(13)12-4-3-11-6-12/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyYWXRIKXYIRTNEE-ZETCQYMHSA-N
MW224.22 g/mol
LogP0.59
Rot. Bonds2

About (5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one

(5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 46224004) has the molecular formula C10H12N2O4 and a molecular weight of 224.22 g/mol. Its IUPAC name is (5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID46224004
Molecular FormulaC10H12N2O4
Molecular Weight224.22 g/mol
Exact Mass224.08
IUPAC Name(5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC1(C)OC(=O)[C@H](CC(=O)n2ccnc2)O1
InChIInChI=1S/C10H12N2O4/c1-10(2)15-7(9(14)16-10)5-8(13)12-4-3-11-6-12/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1
InChIKeyYWXRIKXYIRTNEE-ZETCQYMHSA-N
XLogP0.59
TPSA70.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one (CID 46224004) is (5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one is CC1(C)OC(=O)[C@H](CC(=O)n2ccnc2)O1.
What is the InChIKey of (5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is YWXRIKXYIRTNEE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H12N2O4/c1-10(2)15-7(9(14)16-10)5-8(13)12-4-3-11-6-12/h3-4,6-7H,5H2,1-2H3/t7-/m0/s1.
What are the key properties of (5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one?
(5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 224.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(2-imidazol-1-yl-2-oxoethyl)-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 46224004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).