[(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone

C15H26N2O4 — CID 133141616

IUPAC[(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
SMILESCOCCN1C[C@H]2COC[C@@H](C(=O)N3CCCCO3)[C@H]2C1
InChIInChI=1S/C15H26N2O4/c1-19-7-5-16-8-12-10-20-11-14(13(12)9-16)15(18)17-4-2-3-6-21-17/h12-14H,2-11H2,1H3/t12-,13-,14+/m0/s1
InChIKeyWAZDAPNCUSZLLC-MELADBBJSA-N
MW298.38 g/mol
LogP0.38
Rot. Bonds4

About [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone

[(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone (PubChem CID 133141616) has the molecular formula C15H26N2O4 and a molecular weight of 298.38 g/mol. Its IUPAC name is [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone.

Molecular Properties

Compound Name[(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
PubChem CID133141616
Molecular FormulaC15H26N2O4
Molecular Weight298.38 g/mol
Exact Mass298.19
IUPAC Name[(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
SMILESCOCCN1C[C@H]2COC[C@@H](C(=O)N3CCCCO3)[C@H]2C1
InChIInChI=1S/C15H26N2O4/c1-19-7-5-16-8-12-10-20-11-14(13(12)9-16)15(18)17-4-2-3-6-21-17/h12-14H,2-11H2,1H3/t12-,13-,14+/m0/s1
InChIKeyWAZDAPNCUSZLLC-MELADBBJSA-N
XLogP0.38
TPSA51.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 50.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone with MolForge

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Related Compounds

[(3aS,7S,7aS)-2-(2-pyrrolidin-1-ylethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124788204
[(4R,4aS,8aR)-6-(2-methoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97388800
[(3aR,7S,7aR)-2-[(1-methylpyrazol-4-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone;bis(2,2,2-trifluoroacetic acid)
CID 127023924
[(3aR,7R,7aR)-2-[(5-methylfuran-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 127021806
[(3aS,7S,7aS)-2-phenyl-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone
CID 124786962
[(3aS,7S,7aS)-2-(pyridin-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124787402
[(3aS,7S,7aS)-2-(oxan-4-yl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone
CID 124787954
[(3aR,7S,7aR)-2-[(3-fluorophenyl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155827216
[(3aR,7R,7aR)-2-(furan-3-ylmethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(1,2-oxazolidin-2-yl)methanone;2,2,2-trifluoroacetic acid
CID 155837180
1-(2-methoxyethyl)-5-(oxazinane-2-carbonyl)piperidin-2-one
CID 45242060
[(4R,4aR,8aR)-6-(2-ethoxyethyl)-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-4-yl]-(1,2-oxazolidin-2-yl)methanone
CID 97367117
2-[(3aS,7R,7aR)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-N-(furan-2-ylmethyl)acetamide
CID 134690538

Frequently Asked Questions

What is the IUPAC name of [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone?
The IUPAC name of [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone (CID 133141616) is [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone.
What is the SMILES notation for [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone?
The canonical SMILES for [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone is COCCN1C[C@H]2COC[C@@H](C(=O)N3CCCCO3)[C@H]2C1.
What is the InChIKey of [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone?
The InChIKey is WAZDAPNCUSZLLC-MELADBBJSA-N. The full InChI is InChI=1S/C15H26N2O4/c1-19-7-5-16-8-12-10-20-11-14(13(12)9-16)15(18)17-4-2-3-6-21-17/h12-14H,2-11H2,1H3/t12-,13-,14+/m0/s1.
What are the key properties of [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone?
[(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone has a molecular weight of 298.38 g/mol, XLogP of 0.38, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3aS,7S,7aS)-2-(2-methoxyethyl)-3,3a,4,6,7,7a-hexahydro-1H-pyrano[3,4-c]pyrrol-7-yl]-(oxazinan-2-yl)methanone is sourced from PubChem (CID 133141616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).