[(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate

C11H17NO5 — CID 91245329

IUPAC[(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESCOCC(=O)N[C@@H]1C=C[C@H](COC(C)=O)OC1
InChIInChI=1S/C11H17NO5/c1-8(13)16-6-10-4-3-9(5-17-10)12-11(14)7-15-2/h3-4,9-10H,5-7H2,1-2H3,(H,12,14)/t9-,10-/m1/s1
InChIKeyILIRCPIZFFTEMP-NXEZZACHSA-N
MW243.26 g/mol
LogP-0.36
Rot. Bonds5

About [(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate

[(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate (PubChem CID 91245329) has the molecular formula C11H17NO5 and a molecular weight of 243.26 g/mol. Its IUPAC name is [(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate.

Molecular Properties

Compound Name[(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
PubChem CID91245329
Molecular FormulaC11H17NO5
Molecular Weight243.26 g/mol
Exact Mass243.11
IUPAC Name[(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
SMILESCOCC(=O)N[C@@H]1C=C[C@H](COC(C)=O)OC1
InChIInChI=1S/C11H17NO5/c1-8(13)16-6-10-4-3-9(5-17-10)12-11(14)7-15-2/h3-4,9-10H,5-7H2,1-2H3,(H,12,14)/t9-,10-/m1/s1
InChIKeyILIRCPIZFFTEMP-NXEZZACHSA-N
XLogP-0.36
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.26
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(3R,6R)-3-(4,4,4-trifluorobutanoylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 91268014
(3R,6S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-6-carboxylic acid
CID 57699443
tert-butyl N-[(3R,6S)-6-carbamoyl-3,6-dihydro-2H-pyran-3-yl]carbamate
CID 57699472
(3-acetamido-5-acetyloxy-3,6-dihydro-2H-pyran-6-yl)methyl acetate
CID 66806594
[5-acetyloxy-3-[3-(methylamino)propanoylamino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 71130923
{(5S)-5-[(tert-Butoxycarbonyl)amino]-5,6-dihydro-2H-pyran-2-yl}methyl acetate
CID 86717461
[(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 90109071
[(3R,6R)-3-(pent-4-enoylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 90687448
[(3R,6R)-3-(hex-4-enoylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 91426547
[3-(prop-2-enylamino)-3,6-dihydro-2H-pyran-6-yl]methyl acetate
CID 91806185
Methyl 5-[(butan-2-ylamino)methyl]-2,5-dihydrofuran-2-carboxylate
CID 24869408
[(1R,5S,6R)-5-acetamido-6-acetyloxycyclohex-2-en-1-yl] acetate
CID 102576537

Frequently Asked Questions

What is the IUPAC name of [(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The IUPAC name of [(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate (CID 91245329) is [(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate.
What is the SMILES notation for [(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The canonical SMILES for [(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate is COCC(=O)N[C@@H]1C=C[C@H](COC(C)=O)OC1.
What is the InChIKey of [(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
The InChIKey is ILIRCPIZFFTEMP-NXEZZACHSA-N. The full InChI is InChI=1S/C11H17NO5/c1-8(13)16-6-10-4-3-9(5-17-10)12-11(14)7-15-2/h3-4,9-10H,5-7H2,1-2H3,(H,12,14)/t9-,10-/m1/s1.
What are the key properties of [(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate?
[(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate has a molecular weight of 243.26 g/mol, XLogP of -0.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,6R)-3-[(2-methoxyacetyl)amino]-3,6-dihydro-2H-pyran-6-yl]methyl acetate is sourced from PubChem (CID 91245329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).