[1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate

C24H42N2O8 — CID 174253444

IUPAC[1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](COCC(C)(C)OC(=O)N2C[C@@H](CO)OC3(CC3)C2)OC(C)(C)C1
InChIInChI=1S/C24H42N2O8/c1-21(2,3)33-19(28)25-11-18(31-22(4,5)14-25)13-30-16-23(6,7)34-20(29)26-10-17(12-27)32-24(15-26)8-9-24/h17-18,27H,8-16H2,1-7H3/t17-,18-/m0/s1
InChIKeyNGMLJKAWMDXQPW-ROUUACIJSA-N
MW486.61 g/mol
LogP2.56
Rot. Bonds6

About [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate

[1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate (PubChem CID 174253444) has the molecular formula C24H42N2O8 and a molecular weight of 486.61 g/mol. Its IUPAC name is [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate.

Molecular Properties

Compound Name[1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate
PubChem CID174253444
Molecular FormulaC24H42N2O8
Molecular Weight486.61 g/mol
Exact Mass486.29
IUPAC Name[1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate
SMILESCC(C)(C)OC(=O)N1C[C@@H](COCC(C)(C)OC(=O)N2C[C@@H](CO)OC3(CC3)C2)OC(C)(C)C1
InChIInChI=1S/C24H42N2O8/c1-21(2,3)33-19(28)25-11-18(31-22(4,5)14-25)13-30-16-23(6,7)34-20(29)26-10-17(12-27)32-24(15-26)8-9-24/h17-18,27H,8-16H2,1-7H3/t17-,18-/m0/s1
InChIKeyNGMLJKAWMDXQPW-ROUUACIJSA-N
XLogP2.56
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.61
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate?
The IUPAC name of [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate (CID 174253444) is [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate.
What is the SMILES notation for [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate?
The canonical SMILES for [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate is CC(C)(C)OC(=O)N1C[C@@H](COCC(C)(C)OC(=O)N2C[C@@H](CO)OC3(CC3)C2)OC(C)(C)C1.
What is the InChIKey of [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate?
The InChIKey is NGMLJKAWMDXQPW-ROUUACIJSA-N. The full InChI is InChI=1S/C24H42N2O8/c1-21(2,3)33-19(28)25-11-18(31-22(4,5)14-25)13-30-16-23(6,7)34-20(29)26-10-17(12-27)32-24(15-26)8-9-24/h17-18,27H,8-16H2,1-7H3/t17-,18-/m0/s1.
What are the key properties of [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate?
[1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate has a molecular weight of 486.61 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(2S)-6,6-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonyl]morpholin-2-yl]methoxy]-2-methylpropan-2-yl] (5S)-5-(hydroxymethyl)-4-oxa-7-azaspiro[2.5]octane-7-carboxylate is sourced from PubChem (CID 174253444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).