(4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one

C10H15NO5 — CID 139185449

IUPAC(4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)O[C@H]2[C@@H]([C@@H]3COC(=O)N3)OC[C@H]2O1
InChIInChI=1S/C10H15NO5/c1-10(2)15-6-4-13-7(8(6)16-10)5-3-14-9(12)11-5/h5-8H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7+,8+/m0/s1
InChIKeyGGPCHDSVOLORFT-LXGUWJNJSA-N
MW229.23 g/mol
LogP0.01
Rot. Bonds1

About (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one

(4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one (PubChem CID 139185449) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one
PubChem CID139185449
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name(4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one
SMILESCC1(C)O[C@H]2[C@@H]([C@@H]3COC(=O)N3)OC[C@H]2O1
InChIInChI=1S/C10H15NO5/c1-10(2)15-6-4-13-7(8(6)16-10)5-3-14-9(12)11-5/h5-8H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7+,8+/m0/s1
InChIKeyGGPCHDSVOLORFT-LXGUWJNJSA-N
XLogP0.01
TPSA66.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one (CID 139185449) is (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one is CC1(C)O[C@H]2[C@@H]([C@@H]3COC(=O)N3)OC[C@H]2O1.
What is the InChIKey of (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is GGPCHDSVOLORFT-LXGUWJNJSA-N. The full InChI is InChI=1S/C10H15NO5/c1-10(2)15-6-4-13-7(8(6)16-10)5-3-14-9(12)11-5/h5-8H,3-4H2,1-2H3,(H,11,12)/t5-,6+,7+,8+/m0/s1.
What are the key properties of (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one?
(4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 229.23 g/mol, XLogP of 0.01, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(3aS,4R,6aR)-2,2-dimethyl-3a,4,6,6a-tetrahydrofuro[3,4-d][1,3]dioxol-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139185449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).