methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate

C10H17NO5 — CID 581830

IUPACmethyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(OC(C)=O)COC1C(C)C
InChIInChI=1S/C10H17NO5/c1-6(2)9-11(10(13)14-4)8(5-15-9)16-7(3)12/h6,8-9H,5H2,1-4H3
InChIKeyGGDXYVNKRYUNOS-UHFFFAOYSA-N
MW231.25 g/mol
LogP0.96
Rot. Bonds2

About methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate

methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate (PubChem CID 581830) has the molecular formula C10H17NO5 and a molecular weight of 231.25 g/mol. Its IUPAC name is methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate
PubChem CID581830
Molecular FormulaC10H17NO5
Molecular Weight231.25 g/mol
Exact Mass231.11
IUPAC Namemethyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate
SMILESCOC(=O)N1C(OC(C)=O)COC1C(C)C
InChIInChI=1S/C10H17NO5/c1-6(2)9-11(10(13)14-4)8(5-15-9)16-7(3)12/h6,8-9H,5H2,1-4H3
InChIKeyGGDXYVNKRYUNOS-UHFFFAOYSA-N
XLogP0.96
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 50.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The IUPAC name of methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate (CID 581830) is methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate is COC(=O)N1C(OC(C)=O)COC1C(C)C.
What is the InChIKey of methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate?
The InChIKey is GGDXYVNKRYUNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO5/c1-6(2)9-11(10(13)14-4)8(5-15-9)16-7(3)12/h6,8-9H,5H2,1-4H3.
What are the key properties of methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate?
methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 0.96, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-acetyloxy-2-propan-2-yl-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 581830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).