methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate

C9H15NO3 — CID 11019560

IUPACmethyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate
SMILESCOC(=O)CC1CC2CCCN2O1
InChIInChI=1S/C9H15NO3/c1-12-9(11)6-8-5-7-3-2-4-10(7)13-8/h7-8H,2-6H2,1H3
InChIKeyISOAPHKXGRCDQN-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.72
Rot. Bonds2

About methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate

methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate (PubChem CID 11019560) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate.

Molecular Properties

Compound Namemethyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate
PubChem CID11019560
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Namemethyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate
SMILESCOC(=O)CC1CC2CCCN2O1
InChIInChI=1S/C9H15NO3/c1-12-9(11)6-8-5-7-3-2-4-10(7)13-8/h7-8H,2-6H2,1H3
InChIKeyISOAPHKXGRCDQN-UHFFFAOYSA-N
XLogP0.72
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate with MolForge

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Related Compounds

methyl 2-(4-cyclopentylmorpholin-2-yl)acetate
CID 115537752
methyl 2-(9-formyl-6,10-dioxaspiro[4.5]decan-7-yl)acetate
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2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazole-2-carbaldehyde
CID 14119694
methyl 2-[4-(3-ethylcyclohexyl)morpholin-2-yl]acetate
CID 115537746
methyl 2-[(2S)-1-(2-methylpropyl)pyrrolidin-2-yl]acetate
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methyl 2-[(2R,4S,5R)-4-hydroxy-5-methyloxolan-2-yl]acetate
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methyl 2-[(2S,4S)-4-(2-methoxy-2-oxoethyl)thietan-2-yl]acetate
CID 70342297
methyl 2-(1-methylsulfonylpiperidin-3-yl)acetate
CID 106942546
methyl 2-(6-methyl-4-phosphanylmorpholin-2-yl)acetate
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methyl 2-[2-(2-methoxy-2-oxoethyl)cycloheptyl]acetate
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methyl 2-cyclopentylacetate;hydrochloride
CID 174509285

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate?
The IUPAC name of methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate (CID 11019560) is methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate.
What is the SMILES notation for methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate?
The canonical SMILES for methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate is COC(=O)CC1CC2CCCN2O1.
What is the InChIKey of methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate?
The InChIKey is ISOAPHKXGRCDQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-12-9(11)6-8-5-7-3-2-4-10(7)13-8/h7-8H,2-6H2,1H3.
What are the key properties of methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate?
methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate has a molecular weight of 185.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,3,3a,4,5,6-hexahydropyrrolo[1,2-b][1,2]oxazol-2-yl)acetate is sourced from PubChem (CID 11019560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).