2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

About 2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate

2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate (PubChem CID 908140) has the molecular formula C18H25NO5 and a molecular weight of 335.40 g/mol. Its IUPAC name is 2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.

Molecular Properties

Compound Name	2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
PubChem CID	908140
Molecular Formula	C18H25NO5
Molecular Weight	335.40 g/mol
Exact Mass	335.17
IUPAC Name	2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate
SMILES	CC(C)COC(=O)[C@H]1[C@H]2C(=O)N(C[C@H]3CCCO3)C[C@]23C=C[C@H]1O3
InChI	InChI=1S/C18H25NO5/c1-11(2)9-23-17(21)14-13-5-6-18(24-13)10-19(16(20)15(14)18)8-12-4-3-7-22-12/h5-6,11-15H,3-4,7-10H2,1-2H3/t12-,13-,14-,15+,18-/m1/s1
InChIKey	VJZIHLZSWKYKRS-ZURLZEQWSA-N
XLogP	1.15
TPSA	65.07 Å²
H-Bond Donors
H-Bond Acceptors	5
Rotatable Bonds	5
Heavy Atoms	24
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	335.40
LogP ≤ 5	1.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Related Compounds

Frequently Asked Questions

What is the IUPAC name of 2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?

The IUPAC name of 2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate (CID 908140) is 2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate.

What is the SMILES notation for 2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?

The canonical SMILES for 2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate is CC(C)COC(=O)[C@H]1[C@H]2C(=O)N(C[C@H]3CCCO3)C[C@]23C=C[C@H]1O3.

What is the InChIKey of 2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?

The InChIKey is VJZIHLZSWKYKRS-ZURLZEQWSA-N. The full InChI is InChI=1S/C18H25NO5/c1-11(2)9-23-17(21)14-13-5-6-18(24-13)10-19(16(20)15(14)18)8-12-4-3-7-22-12/h5-6,11-15H,3-4,7-10H2,1-2H3/t12-,13-,14-,15+,18-/m1/s1.

What are the key properties of 2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate?

2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate has a molecular weight of 335.40 g/mol, XLogP of 1.15, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methylpropyl (1S,5R,6S,7R)-4-oxo-3-[[(2R)-oxolan-2-yl]methyl]-10-oxa-3-azatricyclo[5.2.1.01,5]dec-8-ene-6-carboxylate is sourced from PubChem (CID 908140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).